← Back to consensus flows

3-chlorobenzyl Alcohol

UUID 5388e897-f367-4404-b1f3-0ca721659908
Flow Object IDfo-ed1911169c65acf8
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 873-63-2
EC Numbers 212-847-5
prefLabel
Language Value Provenance
en 3-chlorobenzyl Alcohol
altLabel
Language Value Provenance
en (3-Chlorophenyl)methanol
en 3-Chlorobenzenemethanol
en <em>m</em>-Chlorobenzyl alcohol
en Benzenemethanol, 3-chloro-
en Benzyl alcohol, <em>m</em>-chloro-
References
Shared Properties
Predicate Value
InChIKey OKVIKCVDMTZFFJ-QYVSTXNMSA-N, ZSRDNPVYGSFUMD-UHFFFAOYSA-N
InChI InChI=1S/C14H21N5O5/c1-2-3-4-23-12-8-11(17-14(15)18-12)19(6-16-8)13-10(22)9(21)7(5-20)24-13/h6-7,9-10,13,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,9-,10-,13-/m1/s1, InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
IUPAC name (2R,3R,4S,5R)-2-(2-amino-6-butoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(2-amino-6-butoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(2-amino-6-butoxy-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(2-amino-6-butoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(2-azanyl-6-butoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (3-chlorophenyl)methanol
Molecular formula C14H21N5O5, C7H7ClO
SMILES C1=CC(=CC(=C1)Cl)CO, CCCCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N, CCCCOC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5388e897-f367-4404-b1f3-0ca721659908 3-chlorobenzyl alcohol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-chlorobenzyl alcohol Emissions/Emissions to soil/Emissions to soil, 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=3-chlorobenzylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=873-63-2; added Common Chemistry CAS names as altLabel: (3-Chlorophenyl)methanol, 3-Chlorobenzenemethanol, <em>m</em>-Chlorobenzyl alcohol, Benzenemethanol, 3-chloro-, Benzyl alcohol, <em>m</em>-chloro-; object_uuid=fo-ed1911169c65acf8
cas_match_labels 1 consensus_match group_key=3-chlorobenzylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'873-63-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed1911169c65acf8: {'873-63-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(3-Chlorophenyl)methanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-63-2', 'https://commonchemistry.cas.org/detail?cas_rn=873-63-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Chlorobenzenemethanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-63-2', 'https://commonchemistry.cas.org/detail?cas_rn=873-63-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Chlorobenzyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-63-2', 'https://commonchemistry.cas.org/detail?cas_rn=873-63-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanol, 3-chloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-63-2', 'https://commonchemistry.cas.org/detail?cas_rn=873-63-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzyl alcohol, <em>m</em>-chloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:873-63-2', 'https://commonchemistry.cas.org/detail?cas_rn=873-63-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-chlorobenzylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=873-63-2; added Common Chemistry CAS names as altLabel: (3-Chlorophenyl)methanol, 3-Chlorobenzenemethanol, <em>m</em>-Chlorobenzyl alcohol, Benzenemethanol, 3-chloro-, Benzyl alcohol, <em>m</em>-chloro-; object_uuid=fo-ed1911169c65acf8
cas_match_labels None {'873-63-2': 'exactMatch'} group_key=3-chlorobenzylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'873-63-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed1911169c65acf8: {'873-63-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "5388e897-f367-4404-b1f3-0ca721659908",
  "name": null,
  "cas_numbers": [
    "873-63-2"
  ],
  "ec_numbers": [
    "212-847-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 133.23
    },
    {
      "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": 133.23
    }
  ],
  "source": "EF 3.1",
  "identifier": "5388e897-f367-4404-b1f3-0ca721659908",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "5388e897-f367-4404-b1f3-0ca721659908",
      "source_flow_name": "3-chlorobenzyl alcohol",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-chlorobenzyl Alcohol",
      "@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-grou-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": [
        "C14H21N5O5",
        "C7H7ClO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117",
          "CID:133940"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OKVIKCVDMTZFFJ-QYVSTXNMSA-N",
        "ZSRDNPVYGSFUMD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117",
          "CID:133940"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC(=C1)Cl)CO",
        "CCCCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N",
        "CCCCOC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117",
          "CID:133940"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H21N5O5/c1-2-3-4-23-12-8-11(17-14(15)18-12)19(6-16-8)13-10(22)9(21)7(5-20)24-13/h6-7,9-10,13,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,9-,10-,13-/m1/s1",
        "InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117",
          "CID:133940"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2R,3R,4S,5R)-2-(2-amino-6-butoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol",
        "(2R,3R,4S,5R)-2-(2-amino-6-butoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",
        "(2R,3R,4S,5R)-2-(2-amino-6-butoxy-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol",
        "(2R,3R,4S,5R)-2-(2-amino-6-butoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",
        "(2R,3R,4S,5R)-2-(2-azanyl-6-butoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",
        "(3-chlorophenyl)methanol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117",
          "CID:133940"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.586G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J600.843G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:133940;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.679",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=873-63-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "873-63-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID301002771",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:133940;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70236273",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CPF4FF63L8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/133940",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:133940;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[873-63-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70117",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[873-63-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194665",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72517380",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70117;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82997035",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:133940;CAS:873-63-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[873-63-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Chlorophenyl)methanol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chlorobenzenemethanol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>m</em>-Chlorobenzyl alcohol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 3-chloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, <em>m</em>-chloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "873-63-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/5388e897-f367-4404-b1f3-0ca721659908",
        "skos:prefLabel": "3-chlorobenzyl alcohol",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/5388e897-f367-4404-b1f3-0ca721659908"
      },
      "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-ed1911169c65acf8"
}