← Back to consensus flows

3-(Isodecyloxy)propanenitrile

UUID b68b8a5a-f892-49b4-b8fc-d459c7bbc28f
Deprecated yes
Replaced By d045cbd1-5f59-451e-a7f1-3a2f32351eef
Flow Object IDfo-5cdfe22649a90720
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 64354-92-3
EC Numbers 264-840-1
prefLabel
Language Value Provenance
en 3-(Isodecyloxy)propanenitrile
altLabel
Language Value Provenance
en Propanenitrile, 3-(isodecyloxy)-
en 3-[c10-(branched)-alkyloxy]propanenitrile
References
Shared Properties
Predicate Value
InChIKey XDCQMQXLBGPTHH-UHFFFAOYSA-N
InChI InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3
IUPAC name 3-(8-methylnonoxy)propanenitrile, 3-(8-methylnonoxy)propionitrile
Molecular formula C13H25NO
SMILES CC(C)CCCCCCCOCCC#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b68b8a5a-f892-49b4-b8fc-d459c7bbc28f 3-[c10-(branched)-alkyloxy]propanenitrile

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=3-[c10-(branched)-alkyloxy]propanenitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=64354-92-3; added Common Chemistry CAS names as altLabel: 3-(Isodecyloxy)propanenitrile, Propanenitrile, 3-(isodecyloxy)-; object_uuid=fo-5cdfe22649a90720
cas_match_labels 1 consensus_match group_key=3-[c10-(branched)-alkyloxy]propanenitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'64354-92-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe22649a90720: {'64354-92-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3-(Isodecyloxy)propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:64354-92-3', 'https://commonchemistry.cas.org/detail?cas_rn=64354-92-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanenitrile, 3-(isodecyloxy)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:64354-92-3', 'https://commonchemistry.cas.org/detail?cas_rn=64354-92-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-[c10-(branched)-alkyloxy]propanenitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=64354-92-3; added Common Chemistry CAS names as altLabel: 3-(Isodecyloxy)propanenitrile, Propanenitrile, 3-(isodecyloxy)-; object_uuid=fo-5cdfe22649a90720
cas_match_labels None {'64354-92-3': 'exactMatch'} group_key=3-[c10-(branched)-alkyloxy]propanenitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'64354-92-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe22649a90720: {'64354-92-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b68b8a5a-f892-49b4-b8fc-d459c7bbc28f",
  "name": null,
  "cas_numbers": [
    "64354-92-3"
  ],
  "ec_numbers": [
    "264-840-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "b68b8a5a-f892-49b4-b8fc-d459c7bbc28f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "b68b8a5a-f892-49b4-b8fc-d459c7bbc28f",
      "source_flow_name": "3-[c10-(branched)-alkyloxy]propanenitrile",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-(Isodecyloxy)propanenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64354-92-3",
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-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": [
        "C13H25NO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XDCQMQXLBGPTHH-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCCCCCCOCCC#N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-(8-methylnonoxy)propanenitrile",
        "3-(8-methylnonoxy)propionitrile"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.213D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.058.927",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=64354-92-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20988250",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3854CD4UX4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/110608",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[64354-92-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27256744",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110608;CAS:64354-92-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64354-92-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propanenitrile, 3-(isodecyloxy)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64354-92-3",
          "https://commonchemistry.cas.org/detail?cas_rn=64354-92-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-[c10-(branched)-alkyloxy]propanenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "b68b8a5a-f892-49b4-b8fc-d459c7bbc28f"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "64354-92-3": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:d045cbd1-5f59-451e-a7f1-3a2f32351eef",
  "is_replaced_by_uuid": "d045cbd1-5f59-451e-a7f1-3a2f32351eef",
  "flow_object_id": "fo-5cdfe22649a90720"
}