← Back to consensus flows

2-Heptanol, 3,6-dimethyl-

UUID 03a082eb-76d5-49af-ac25-35e26b9e046a
Deprecated yes
Replaced By 6e0f4c1c-7139-4edd-931f-937d0e1532f8
Flow Object IDfo-15ff1a19470def93
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1247790-47-1
EC Numbers 801-829-8
prefLabel
Language Value Provenance
en 2-Heptanol, 3,6-dimethyl-
altLabel
Language Value Provenance
en 3,6-Dimethyl-2-heptanol
en Terpirosa
en 3,6-dimethylheptan-2-ol
References
Shared Properties
Predicate Value
InChIKey NTDKHABICKZMPG-UHFFFAOYSA-N
InChI InChI=1S/C9H20O/c1-7(2)5-6-8(3)9(4)10/h7-10H,5-6H2,1-4H3
IUPAC name 3,6-dimethyl-2-heptanol, 3,6-dimethylheptan-2-ol
Molecular formula C9H20O
SMILES CC(C)CCC(C)C(C)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 03a082eb-76d5-49af-ac25-35e26b9e046a 3,6-dimethylheptan-2-ol

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=3,6-dimethylheptan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=1247790-47-1; added Common Chemistry CAS names as altLabel: 2-Heptanol, 3,6-dimethyl-, 3,6-Dimethyl-2-heptanol, Terpirosa; object_uuid=fo-15ff1a19470def93
cas_match_labels 1 consensus_match group_key=3,6-dimethylheptan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'1247790-47-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15ff1a19470def93: {'1247790-47-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Heptanol, 3,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1247790-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,6-Dimethyl-2-heptanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1247790-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terpirosa', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1247790-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,6-dimethylheptan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=1247790-47-1; added Common Chemistry CAS names as altLabel: 2-Heptanol, 3,6-dimethyl-, 3,6-Dimethyl-2-heptanol, Terpirosa; object_uuid=fo-15ff1a19470def93
cas_match_labels None {'1247790-47-1': 'exactMatch'} group_key=3,6-dimethylheptan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'1247790-47-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15ff1a19470def93: {'1247790-47-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "03a082eb-76d5-49af-ac25-35e26b9e046a",
  "name": null,
  "cas_numbers": [
    "1247790-47-1"
  ],
  "ec_numbers": [
    "801-829-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "03a082eb-76d5-49af-ac25-35e26b9e046a",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "03a082eb-76d5-49af-ac25-35e26b9e046a",
      "source_flow_name": "3,6-dimethylheptan-2-ol",
      "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": "2-Heptanol, 3,6-dimethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1247790-47-1",
          "CID:19871663"
        ],
        "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": [
        "C9H20O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NTDKHABICKZMPG-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCC(C)C(C)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H20O/c1-7(2)5-6-8(3)9(4)10/h7-10H,5-6H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3,6-dimethyl-2-heptanol",
        "3,6-dimethylheptan-2-ol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.745.672A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663;CAS:1247790-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1247790-47-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.228.590",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663;CAS:1247790-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1247790-47-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1247790-47-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90889280",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663;CAS:1247790-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1247790-47-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/19871663",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663;CAS:1247790-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1247790-47-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82869122",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:19871663;CAS:1247790-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1247790-47-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,6-Dimethyl-2-heptanol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1247790-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terpirosa",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1247790-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1247790-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,6-dimethylheptan-2-ol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "03a082eb-76d5-49af-ac25-35e26b9e046a"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "1247790-47-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:6e0f4c1c-7139-4edd-931f-937d0e1532f8",
  "is_replaced_by_uuid": "6e0f4c1c-7139-4edd-931f-937d0e1532f8",
  "flow_object_id": "fo-15ff1a19470def93"
}