1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid
99d7c870-7854-4a24-a6e4-99701de50afb
Identity
- Substance
- fo-26657b1de2995546 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Agricultural
- CAS
- 381209-09-2
- EC
- 619-508-4
Context
- Dimension
- Environmental
- Geography
- Agricultural
- Media
- Ground
Alternative labels
2- 1-(2-Ethylbutyl)cyclohexanecarboxylic acid
- Cyclohexanecarboxylic acid, 1-(2-ethylbutyl)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 99d7c870-7854-4a24-a6e4-99701de50afb | 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid | 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 | 99d7c870-7854-4a24-a6e4-99701de50afb | 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid | Emissions/Emissions to soil/Emissions to agricultural soil | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 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 | — | 583.01 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 583.01 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 583.01 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 583.01 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 5.0817e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 5.0817e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 5.0817e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 5.0817e-07 | 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": "1-(2-Ethylbutyl)cyclohexanecarboxylic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:381209-09-2",
"https://commonchemistry.cas.org/detail?cas_rn=381209-09-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclohexanecarboxylic acid, 1-(2-ethylbutyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:381209-09-2",
"https://commonchemistry.cas.org/detail?cas_rn=381209-09-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H24O2"
],
"attested_by": {
"C13H24O2": [
"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:10488751"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XRKJBJLXKLOLKS-UHFFFAOYSA-N"
],
"attested_by": {
"XRKJBJLXKLOLKS-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:10488751"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
],
"attested_by": {
"CCC(CC)CC1(C(=O)O)CCCCC1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
],
"attested_by": {
"InChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid"
]
},
"attested_by": {
"1-(2-ethyl-butyl)-cyclohexanecarboxylic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
212.333
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(CCCCC1)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
],
"attested_by": {
"212.333": [
"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": [
212.17763
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(CCCCC1)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CC)CC1(C(=O)O)CCCCC1"
]
}
],
"attested_by": {
"212.17763": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.126.106",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10488751;CAS:381209-09-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[381209-09-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=381209-09-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10488751;CAS:381209-09-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[381209-09-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID301036257",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10488751;CAS:381209-09-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[381209-09-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10488751",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10488751;CAS:381209-09-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[381209-09-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126673354",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10488751;CAS:381209-09-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[381209-09-2]"
}
}
],
"prefLabel": [
{
"@value": "1-(2-ethyl-butyl)-cyclohexanecarboxylic 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": [],
"uuid": "99d7c870-7854-4a24-a6e4-99701de50afb",
"identifier": "99d7c870-7854-4a24-a6e4-99701de50afb",
"source": "EF 3.1",
"cas_numbers": [
"381209-09-2"
],
"ec_numbers": [
"619-508-4"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Agricultural"
},
"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": 583.01
},
{
"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": 5.0817e-7
},
{
"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": 5.0817e-7
},
{
"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": 583.01
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-26657b1de2995546",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/99d7c870-7854-4a24-a6e4-99701de50afb",
"skos:prefLabel": "1-(2-ethyl-butyl)-cyclohexanecarboxylic acid",
"context": "Emissions/Emissions to soil/Emissions to agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/99d7c870-7854-4a24-a6e4-99701de50afb"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/99d7c870-7854-4a24-a6e4-99701de50afb"
},
"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": "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": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"381209-09-2": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "1-(2-ethyl-butyl)-cyclohexanecarboxylic acid",
"synonyms": [
"organic",
"catacid"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to agricultural soil"
],
"cas_numbers": [
"381209-09-2"
],
"ec_numbers": [
"619-508-4"
],
"unit": "kg"
}
}