Dioctyl Carbonate
21429f44-d03f-4f7b-8633-acbf544e0815
Identity
- Substance
- fo-fa0e79d880e76170 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 1680-31-5
- EC
- 434-850-2
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
4- Carbonic acid, dioctyl ester
- Cetiol CC
- Cetiol DD
- Dicaprylyl carbonate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 21429f44-d03f-4f7b-8633-acbf544e0815 | dioctyl carbonate | 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 | 21429f44-d03f-4f7b-8633-acbf544e0815 | dioctyl carbonate | Emissions/Emissions to water/Emissions to sea water | 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 | — | 8.5468e-04 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 8.5468e-04 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 8.5468e-04 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 8.5468e-04 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.1938e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.1938e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.1938e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.1938e-08 | 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": "Carbonic acid, dioctyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1680-31-5",
"https://commonchemistry.cas.org/detail?cas_rn=1680-31-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cetiol CC",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1680-31-5",
"https://commonchemistry.cas.org/detail?cas_rn=1680-31-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cetiol DD",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1680-31-5",
"https://commonchemistry.cas.org/detail?cas_rn=1680-31-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dicaprylyl carbonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1680-31-5",
"https://commonchemistry.cas.org/detail?cas_rn=1680-31-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C17H34O3"
],
"attested_by": {
"C17H34O3": [
"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:9904000"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PKPOVTYZGGYDIJ-UHFFFAOYSA-N"
],
"attested_by": {
"PKPOVTYZGGYDIJ-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:9904000"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCOC(=O)OCCCCCCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dioctyl Carbonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
],
"attested_by": {
"CCCCCCCCOC(=O)OCCCCCCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dioctyl Carbonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
],
"attested_by": {
"InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Dioctyl Carbonate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dioctyl Carbonate"
]
},
"attested_by": {
"Dioctyl Carbonate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
286.456
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
],
"attested_by": {
"286.456": [
"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": [
286.250795
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCOC(=O)OCCCCCCCC"
]
}
],
"attested_by": {
"286.250795": [
"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=J1.700.172H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.103.306",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.130.187",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1680-31-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1680-31-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9075115",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/609A3V1SUA",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9904000",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1680-31-5]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1372926",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27263196",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9904000;CAS:1680-31-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1680-31-5]"
}
}
],
"prefLabel": [
{
"@value": "Dioctyl Carbonate",
"@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": "21429f44-d03f-4f7b-8633-acbf544e0815",
"identifier": "21429f44-d03f-4f7b-8633-acbf544e0815",
"source": "EF 3.1",
"cas_numbers": [
"1680-31-5"
],
"ec_numbers": [
"434-850-2"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Ocean"
},
"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": 0.00085468
},
{
"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": 1.1938e-8
},
{
"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": 1.1938e-8
},
{
"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": 0.00085468
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-fa0e79d880e76170",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/21429f44-d03f-4f7b-8633-acbf544e0815",
"skos:prefLabel": "dioctyl carbonate",
"context": "Emissions/Emissions to water/Emissions to sea water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/21429f44-d03f-4f7b-8633-acbf544e0815"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/21429f44-d03f-4f7b-8633-acbf544e0815"
},
"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": {
"1680-31-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "dioctyl carbonate",
"synonyms": [
"organic",
"cetiolcc",
"dicaprylylcarbonate(dcc)"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to sea water"
],
"cas_numbers": [
"1680-31-5"
],
"ec_numbers": [
"434-850-2"
],
"unit": "kg"
}
}