2,3-dichloro-1-propanol
4d9a8790-3ddd-11dd-99a9-0050c2490048
Identity
- Substance
- fo-61be65b8a0eba8de Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 616-23-9
- EC
- 210-470-0
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
11- (RS)-2,3-Dichloro-1-propanol
- (±)-2,3-Dichloro-1-propanol
- 1,2-Dichlorohydrin
- 1-Propanol, 2,3-dichloro-
- 2,3-Dichlorohydrin
- 2,3-Dichloropropyl alcohol
- Glycerol 1,2-dichlorohydrin
- Glycerol α,β-dichlorohydrin
- α,β-Dichlorohydrin
- β,γ-Dichlorohydrin
- β-Dichlorohydrin
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 4d9a8790-3ddd-11dd-99a9-0050c2490048 | 2,3-dichloro-1-propanol | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 4d9a8790-3ddd-11dd-99a9-0050c2490048 | 2,3-dichloro-1-propanol | Emissions/Emissions to air/Emissions to air, unspecified | exactMatch | — |
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": "(RS)-2,3-Dichloro-1-propanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(±)-2,3-Dichloro-1-propanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-Dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Propanol, 2,3-dichloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Dichloropropyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerol 1,2-dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerol α,β-dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,β-Dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β,γ-Dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-Dichlorohydrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:616-23-9",
"https://commonchemistry.cas.org/detail?cas_rn=616-23-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C3H6Cl2O"
],
"attested_by": {
"C3H6Cl2O": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZXCYIJGIGSDJQQ-UHFFFAOYSA-N"
],
"attested_by": {
"ZXCYIJGIGSDJQQ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"OCC(Cl)CCl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3-dichloro-1-propanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
],
"attested_by": {
"OCC(Cl)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/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3-dichloro-1-propanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
],
"attested_by": {
"InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,3-dichloro-1-propanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3-dichloro-1-propanol"
]
},
"attested_by": {
"2,3-dichloro-1-propanol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
128.986
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(CCl)Cl)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
],
"attested_by": {
"128.986": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
127.97957
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(CCl)Cl)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(Cl)CCl"
]
}
],
"attested_by": {
"127.97957": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.003A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.009.519",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=616-23-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"616-23-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2024038",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/88I7UKE7IM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12018",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[616-23-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2810",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1538584",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27269940",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12018;CAS:616-23-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[616-23-9]"
}
}
],
"prefLabel": [
{
"@value": "2,3-dichloro-1-propanol",
"@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": [],
"uuid": "4d9a8790-3ddd-11dd-99a9-0050c2490048",
"identifier": "4d9a8790-3ddd-11dd-99a9-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"616-23-9"
],
"ec_numbers": [
"210-470-0"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Unknown"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-61be65b8a0eba8de",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-11dd-99a9-0050c2490048",
"skos:prefLabel": "2,3-dichloro-1-propanol",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/4d9a8790-3ddd-11dd-99a9-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/4d9a8790-3ddd-11dd-99a9-0050c2490048"
},
"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"
]
}
}
],
"_sources": {
"prefLabel": "bootstrap_labels",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"ec_numbers": "ec_cross_check",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"616-23-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2,3-dichloro-1-propanol",
"synonyms": [
".alpha.,.beta.-Dichlorohydrin",
"1,2-Dichloro-3-propanol",
"1-Propanol, 2,3-dichloro-",
"2,3-DICHLOROPROPANOL",
"2,3-Dichloropropan-1-ol",
"2,3-Dichloropropane-1-ol",
"2,3-Dichloropropyl alcohol",
"AC1L1YNU",
"DC1P",
"Glycerol 1,2-dichlorohydrin",
"Glycerol alpha,beta-dichlorohydrin",
"Glycerol-alpha,beta-dichlorohydrin",
"SMR001370877",
"ZXCYIJGIGSDJQQ-UHFFFAOYSA-",
"alpha,beta-Dichlorohydrin",
"beta-Dichlorohydrin",
"nchembio.205-comp4"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"616-23-9"
],
"ec_numbers": [],
"unit": "kg"
}
}