MCPB-ethyl
13cfee54-2e63-4af2-8cc0-045ba7668cf2
Identity
- Substance
- fo-b7645ee3eae6046d NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 10443-70-6
- EC
- —
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
9- Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester
- Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-, ethyl ester
- Ethyl (2-methyl-4-chlorophenoxy)butyrate
- Ethyl 4-(4-chloro-2-methylphenoxy)butyrate
- Ethyl 4-[(4-chloro-o-tolyl)oxy]butyrate
- Ethyl γ-(2-methyl-4-chlorophenoxy)butyrate
- MCPB ethyl
- MCPB ethyl ester
- MCPBE
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 13cfee54-2e63-4af2-8cc0-045ba7668cf2 | MCPB-ethyl | 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 | 13cfee54-2e63-4af2-8cc0-045ba7668cf2 | MCPB-ethyl | Emissions/Emissions to water/Emissions to fresh water | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | — | 24,192 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 24,192 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 24,192 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 24,192 | sole |
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": "Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-, ethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl (2-methyl-4-chlorophenoxy)butyrate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl 4-(4-chloro-2-methylphenoxy)butyrate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl 4-[(4-chloro-o-tolyl)oxy]butyrate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl γ-(2-methyl-4-chlorophenoxy)butyrate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCPB ethyl",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCPB ethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MCPBE",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10443-70-6",
"https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H17ClO3"
],
"attested_by": {
"C13H17ClO3": [
"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:25286"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XNKARWLGLZGMGX-UHFFFAOYSA-N"
],
"attested_by": {
"XNKARWLGLZGMGX-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:25286"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
],
"attested_by": {
"CCOC(=O)CCCOc1ccc(Cl)cc1C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
],
"attested_by": {
"InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester"
]
},
"attested_by": {
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
256.729
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
],
"attested_by": {
"256.729": [
"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": [
256.086622
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC(=O)CCCOc1ccc(Cl)cc1C"
]
}
],
"attested_by": {
"256.086622": [
"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=J5.226D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10443-70-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.123.876",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10443-70-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=10443-70-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10443-70-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4058287",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10443-70-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/25286",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[10443-70-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81976794",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25286;CAS:10443-70-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10443-70-6]"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "13cfee54-2e63-4af2-8cc0-045ba7668cf2",
"identifier": "13cfee54-2e63-4af2-8cc0-045ba7668cf2",
"source": "EF 3.1",
"cas_numbers": [
"10443-70-6"
],
"ec_numbers": [],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"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": 24192.0
},
{
"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": 24192.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"prefLabel": [
{
"@value": "MCPB-ethyl",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-b7645ee3eae6046d",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/13cfee54-2e63-4af2-8cc0-045ba7668cf2",
"skos:prefLabel": "MCPB-ethyl",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/13cfee54-2e63-4af2-8cc0-045ba7668cf2"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/13cfee54-2e63-4af2-8cc0-045ba7668cf2"
},
"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",
"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": {
"10443-70-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "MCPB-ethyl",
"synonyms": [
"AC1L18TX",
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester",
"Butyric acid, 4-((4-chloro-o-tolyl)oxy)-, ethyl ester",
"ETHYL 4-(4-CHLORO-2-METHYLPHENOXY)BUTANOATE",
"Ethyl 4-(2-methyl-4-chlorophenoxy)butylate",
"MCPB ethyl",
"MCPB ethyl ester",
"MCPBE"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
],
"cas_numbers": [
"10443-70-6"
],
"ec_numbers": [],
"unit": "kg"
}
}