Adiponitrile
62378a16-76d6-423c-9dc4-291433d38318
Identity
- Substance
- fo-610bcae75e6b6cb6 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 111-69-3
- EC
- 203-896-3
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
7- 1,4-Dicyanobutane
- Adipic acid dinitrile
- Adipic acid nitrile
- Adipic dinitrile
- Adipodinitrile
- Butanedicarbonitrile
- Hexanedinitrile
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 62378a16-76d6-423c-9dc4-291433d38318 | adiponitrile | 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 | 62378a16-76d6-423c-9dc4-291433d38318 | adiponitrile | Emissions/Emissions to soil/Emissions to non-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 | — | 9.0804 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 9.0804 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 9.0804 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 9.0804 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 7.9188e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 7.9188e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 7.9188e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 7.9188e-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": "1,4-Dicyanobutane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adipic acid dinitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adipic acid nitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adipic dinitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adipodinitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanedicarbonitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanedinitrile",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:111-69-3",
"https://commonchemistry.cas.org/detail?cas_rn=111-69-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H8N2"
],
"attested_by": {
"C6H8N2": [
"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:8128"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BTGRAWJCKBQKAO-UHFFFAOYSA-N"
],
"attested_by": {
"BTGRAWJCKBQKAO-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:8128"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"N#CCCCCC#N"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Adiponitrile"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
],
"attested_by": {
"N#CCCCCC#N": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Adiponitrile"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
],
"attested_by": {
"InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Adiponitrile"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Adiponitrile"
]
},
"attested_by": {
"Adiponitrile": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
108.144
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CCC#N)CC#N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
],
"attested_by": {
"108.144": [
"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": [
108.068748
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CCC#N)CC#N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N#CCCCCC#N"
]
}
],
"attested_by": {
"108.068748": [
"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=J2.456B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.003.543",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0211",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=111-69-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"111-69-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3021936",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7617",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Adiponitrile",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SYT33B891I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0248015",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/8128",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[111-69-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2205",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://www.cdc.gov/niosh-rtecs/AV280DE8.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132938",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q84062",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:8128;CAS:111-69-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[111-69-3]"
}
}
],
"prefLabel": [
{
"@value": "Adiponitrile",
"@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": "62378a16-76d6-423c-9dc4-291433d38318",
"identifier": "62378a16-76d6-423c-9dc4-291433d38318",
"source": "EF 3.1",
"cas_numbers": [
"111-69-3"
],
"ec_numbers": [
"203-896-3"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Non-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": 9.0804
},
{
"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": 7.9188e-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": 7.9188e-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": 9.0804
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-610bcae75e6b6cb6",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/62378a16-76d6-423c-9dc4-291433d38318",
"skos:prefLabel": "adiponitrile",
"context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/62378a16-76d6-423c-9dc4-291433d38318"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/62378a16-76d6-423c-9dc4-291433d38318"
},
"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": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"111-69-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "adiponitrile",
"synonyms": [
"1,4-Dicyanobutane",
"A0168",
"AC1L1QBT",
"AC1Q4S7T",
"Adipic acid dinitrile",
"Adipic acid nitrile",
"Adipinsaeuredinitril",
"Adipodinitrile",
"Adiponitrile, reaction product with hydrogen, high-boiling fraction",
"Adipyldinitrile",
"FT-0083166",
"Hexanedinitrile",
"Hexanedinitrile, hydrogenated, high-boiling fraction",
"Hexanedioic acid, dinitrile",
"Nitrile adipico",
"Reaction product (adiponitrile-hydrogen)",
"SBB060888",
"SMR001252282",
"Tetramethylene cyanide",
"Tetramethylene dicyanide"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to non-agricultural soil"
],
"cas_numbers": [
"111-69-3"
],
"ec_numbers": [
"203-896-3"
],
"unit": "kg"
}
}