← Back to consensus flows

2-ethylhexyl Cyanoacetate

UUID 58090226-e8c0-4278-9c7f-fc8dbcbc4086
Flow Object IDfo-7c299e80d50d8b9d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 13361-34-7
EC Numbers 236-425-5
prefLabel
Language Value Provenance
en 2-ethylhexyl Cyanoacetate
altLabel ⓘ
Language Value Provenance
en 2-Ethylhexyl 2-cyanoacetate
en Acetic acid, 2-cyano-, 2-ethylhexyl ester
en Acetic acid, cyano-, 2-ethylhexyl ester
en Cyanoacetic acid 2-ethylhexyl ester
en NSC 69963
References
Shared Properties
Predicate Value
InChIKey FOENJJLISVGOQR-UHFFFAOYSA-N, ZNYBQVBNSXLZNI-UHFFFAOYSA-N
InChI InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3, InChI=1S/C15H30/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h11-13H,8-10H2,1-7H3
IUPAC name 1,3-ditert-butyl-5-methyl-cyclohexane, 1,3-ditert-butyl-5-methylcyclohexane, 2-cyanoacetic acid 2-ethylhexyl ester, 2-ethylhexyl 2-cyanoacetate, 2-ethylhexyl 2-cyanoethanoate
Molecular formula C11H19NO2, C15H30
SMILES CC1CC(CC(C1)C(C)(C)C)C(C)(C)C, CCCCC(CC)COC(=O)CC#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 58090226-e8c0-4278-9c7f-fc8dbcbc4086 2-ethylhexyl cyanoacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-ethylhexyl cyanoacetate Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2-ethylhexylcyanoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=13361-34-7; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 2-cyanoacetate, Acetic acid, 2-cyano-, 2-ethylhexyl ester, Acetic acid, cyano-, 2-ethylhexyl ester, Cyanoacetic acid 2-ethylhexyl ester, NSC 69963; object_uuid=fo-7c299e80d50d8b9d
cas_match_labels 1 — consensus_match group_key=2-ethylhexylcyanoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13361-34-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c299e80d50d8b9d: {'13361-34-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Ethylhexyl 2-cyanoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13361-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=13361-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2-cyano-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13361-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=13361-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, cyano-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13361-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=13361-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyanoacetic acid 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13361-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=13361-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 69963', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13361-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=13361-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexylcyanoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=13361-34-7; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 2-cyanoacetate, Acetic acid, 2-cyano-, 2-ethylhexyl ester, Acetic acid, cyano-, 2-ethylhexyl ester, Cyanoacetic acid 2-ethylhexyl ester, NSC 69963; object_uuid=fo-7c299e80d50d8b9d
cas_match_labels None {'13361-34-7': 'exactMatch'} group_key=2-ethylhexylcyanoacetate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13361-34-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c299e80d50d8b9d: {'13361-34-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "58090226-e8c0-4278-9c7f-fc8dbcbc4086",
  "name": null,
  "cas_numbers": [
    "13361-34-7"
  ],
  "ec_numbers": [
    "236-425-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 105.63
    },
    {
      "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": 105.63
    }
  ],
  "source": "EF 3.1",
  "identifier": "58090226-e8c0-4278-9c7f-fc8dbcbc4086",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "58090226-e8c0-4278-9c7f-fc8dbcbc4086",
      "source_flow_name": "2-ethylhexyl cyanoacetate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-ethylhexyl Cyanoacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_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": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H19NO2",
        "C15H30"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359",
          "CID:163978"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FOENJJLISVGOQR-UHFFFAOYSA-N",
        "ZNYBQVBNSXLZNI-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359",
          "CID:163978"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1CC(CC(C1)C(C)(C)C)C(C)(C)C",
        "CCCCC(CC)COC(=O)CC#N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359",
          "CID:163978"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3",
        "InChI=1S/C15H30/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h11-13H,8-10H2,1-7H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359",
          "CID:163978"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,3-ditert-butyl-5-methyl-cyclohexane",
        "1,3-ditert-butyl-5-methylcyclohexane",
        "2-cyanoacetic acid 2-ethylhexyl ester",
        "2-ethylhexyl 2-cyanoacetate",
        "2-ethylhexyl 2-cyanoethanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359",
          "CID:163978"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.872G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.033.099",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40921806",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:163978;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9044378",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=69963",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D8I2A0O4D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/163978",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:163978;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13361-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/96359",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13361-34-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182549",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27264566",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:96359;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82894885",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:163978;CAS:13361-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13361-34-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl 2-cyanoacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13361-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, 2-cyano-, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13361-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, cyano-, 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13361-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanoacetic acid 2-ethylhexyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13361-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 69963",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13361-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=13361-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "13361-34-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/58090226-e8c0-4278-9c7f-fc8dbcbc4086",
        "skos:prefLabel": "2-ethylhexyl cyanoacetate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/58090226-e8c0-4278-9c7f-fc8dbcbc4086"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "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"
        ]
      }
    }
  ],
  "flow_object_id": "fo-7c299e80d50d8b9d"
}