Chloroacetic Acid
c5891744-aa6b-448f-8cfc-661e757a4f60
Identity
- Substance
- fo-6645db090f179355 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 79-11-8
- EC
- 201-178-4
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
19- 2-chloro-acetic acid
- 2-chloro-ethanoic acid
- 2-chloroacetic acid
- Acide chloracetique
- Acide chloroacetique
- Acide monochloracetique
- CAA
- Chloroethanoic acid
- Monochloressigsaeure
- alpha-chloro-acetic acid
- chloracetic acid
- monochloroacetic acid
- monochloroethanoic acid
- Acetic acid, 2-chloro-
- Acetic acid, chloro-
- MCA
- MCAA
- MKhUK
- α-Chloroacetic acid
Source lists
4| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | c5891744-aa6b-448f-8cfc-661e757a4f60 | chloroacetic acid | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| bafu | 2026-v1 | 7b40b9b6-057d-5639-beed-31d6b4b4842a | Chloroacetic Acid | The CAS numbers are the same (79-11-8); both name the same compartment. |
| ecoinvent | 3.12 | ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b | Chloroacetic Acid | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow. |
| ecoinvent | 3.8 | ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b | Chloroacetic Acid | A curator's mapping table (ecoinvent-3.8-biosphere-EF-3.1-biosphere.json) names this flow. |
Concept associations
4| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | c5891744-aa6b-448f-8cfc-661e757a4f60 | chloroacetic acid | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
| ecoinvent 3.12 | ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b | Chloroacetic Acid | air / urban air close to ground | exactMatch | — |
| ecoinvent 3.8 | ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b | Chloroacetic Acid | air / urban air close to ground | exactMatch | — |
| bafu 2026-v1 | 7b40b9b6-057d-5639-beed-31d6b4b4842a | Chloroacetic Acid | emissions to air / high. pop. | closeMatch | — |
Characterisation factors
16- consensus-flow-list 6 (4 non-zero)
- European Commission — JRC 6 (4 non-zero)
- ecoinvent Centre 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 4,317 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 4,317 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4,317 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4,317 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 4,317 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4,317 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, cancer | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, cancer_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer_organics | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.3271e-06 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 1.3271e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.3271e-06 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.3271e-06 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 1.3271e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.3271e-06 | agreed |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "2-chloro-acetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-chloro-ethanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-chloroacetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Acide chloracetique",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Acide chloroacetique",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Acide monochloracetique",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "CAA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Chloroethanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Monochloressigsaeure",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "alpha-chloro-acetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "chloracetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "monochloroacetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "monochloroethanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Acetic acid, 2-chloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetic acid, chloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCAA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MKhUK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Chloroacetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:79-11-8",
"https://commonchemistry.cas.org/detail?cas_rn=79-11-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H3ClO2"
],
"attested_by": {
"C2H3ClO2": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(O)CCl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Chloroacetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
],
"attested_by": {
"O=C(O)CCl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Chloroacetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
],
"attested_by": {
"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FOCAUTSVDIKZOP-UHFFFAOYSA-N"
],
"attested_by": {
"FOCAUTSVDIKZOP-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
94.497
],
"attested_by": {
"94.497": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
93.982157,
93.98216
],
"attested_by": {
"93.98216": [
"enrich_references.chebi_semantic"
],
"93.982157": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(=O)O)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)CCl"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Chloroacetic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Chloroacetic Acid"
]
},
"attested_by": {
"Chloroacetic Acid": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.409K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.072",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0235",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=79-11-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4020901",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=142",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=42970",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Chloroacetic_acid",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5GD84Y125G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0031331",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://lipidmaps.org/databases/lmsd/LMFA01090068",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://metacyc.org/compound?orgid=META&id=CHLOROACETIC-ACID",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/300",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[79-11-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1750",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1751",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#3250",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/12359395",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/15033542",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/16647117",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/17490874",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23103613",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/25451595",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/2374",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27869",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14090",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.genome.jp/entry/C06755",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.genome.jp/entry/D07677",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.kegg.jp/entry/C06755",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.kegg.jp/entry/D07677",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.lipidmaps.org/databases/lmsd/LMFA01090068",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1754",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.pharmgkb.org/chemical/PA166131307",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q409013",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:300;CAS:79-11-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[79-11-8]"
}
},
{
"@id": "pdb-ccd:R3W",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "pesticides:monochloroacetic%20acid",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "reaxys:605438",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Chloroacetic Acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_27869"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
"rdfs:label": "herbicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
],
"uuid": "c5891744-aa6b-448f-8cfc-661e757a4f60",
"identifier": "c5891744-aa6b-448f-8cfc-661e757a4f60",
"source": "EF 3.1",
"cas_numbers": [
"79-11-8"
],
"ec_numbers": [
"201-178-4"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 4317.0
},
{
"method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
"name": "Human toxicity, cancer",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.0
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.3271e-6
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.3271e-6
},
{
"method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
"name": "Human toxicity, cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.0
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 4317.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-6645db090f179355",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/c5891744-aa6b-448f-8cfc-661e757a4f60",
"skos:prefLabel": "chloroacetic acid",
"context": "Emissions/Emissions to air/Emissions to urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b",
"skos:prefLabel": "Chloroacetic Acid",
"context": "air / urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b",
"Chloroacetic Acid",
"ecoinvent-3.11-biosphere-EF-3.1-biosphere"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b",
"skos:prefLabel": "Chloroacetic Acid",
"context": "air / urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.8:ed38a7d2-ffa5-4c28-9aea-dd9df0d1898b",
"Chloroacetic Acid",
"ecoinvent-3.8-biosphere-EF-3.1-biosphere.json"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/bafu/2026-v1/flow/7b40b9b6-057d-5639-beed-31d6b4b4842a",
"skos:prefLabel": "Chloroacetic Acid",
"context": "emissions to air / high. pop.",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:closeMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/c5891744-aa6b-448f-8cfc-661e757a4f60"
},
"provenance": {
"prov:wasGeneratedBy": "merge_bafu",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"bafu:2026-v1:7b40b9b6-057d-5639-beed-31d6b4b4842a",
"Chloroacetic Acid",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:79-11-8",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=14",
"algorithm.selector_reason=exact-context-iri-match",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:79-11-8);flow_object_candidates(1);elementary_candidates(14);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance",
"roles": "link_flows_to_their_substance"
},
"cas_match_labels": {
"79-11-8": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "chloroacetic acid",
"synonyms": [
".alpha.-Chloroacetic acid",
"2-chloroacetic acid",
"AB1002140",
"AC1L18XJ",
"AC1Q75JS",
"AC1Q75JT",
"AKOS000118920",
"Acetic acid, 2-chloro-",
"Acetic acid, chloro-",
"Acetocaustin",
"Acetocaustin (TN)",
"Acide chloracetique",
"Acide chloracetique [ISO-French]",
"Acide chloroacetique",
"Acide monochloracetique",
"Acidomonocloroacetico",
"CHLOROACETIC ACID CRYSTALLINE",
"CHLOROACETIC ACID, ACS",
"CHLOROACETIC-ACID",
"Chloracetic acid",
"Chloroacetic",
"Chloroacetic acid [BSI:ISO]",
"Chloroacetic acid, liquid",
"Chloroacetic acid, molten",
"Chloroacetic acid, solid",
"Chloroethanoic acid",
"FOCAUTSVDIKZOP-JLSKMEETCI",
"FOCAUTSVDIKZOP-UHFFFAOYSA-",
"FT-0082724",
"I04-1105",
"Kyselina chloroctova",
"LT00789405",
"Monochloorazijnzuur",
"Monochloracetic acid",
"Monochloracetic acidacide monochloracetique",
"Monochloressigsaeure",
"Monochloroacetic acid",
"Monochloroacetic acid [BSI:ISO]",
"Monochloroethanoic acid",
"NCI-C60231",
"R3W",
"SMR000568484",
"alpha-Chloroacetic acid",
"alpha-chloro-acetic acid",
"sJPhLQDIKTp@"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to urban air close to ground"
],
"cas_numbers": [
"79-11-8"
],
"ec_numbers": [
"201-178-4"
],
"unit": "kg"
}
}