← Back to consensus flows

2-allyl-4-chlorophenol

UUID 07ea9408-e400-462c-8a69-4b8288df1723
Flow Object IDfo-d5176cdcf582cfe2
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 13997-73-4
EC Numbers 237-797-1
prefLabel
Language Value Provenance
en 2-allyl-4-chlorophenol
altLabel ⓘ
Language Value Provenance
en 4-Chloro-2-(2-propen-1-yl)phenol
en 4-Chloro-2-allylphenol
en NSC 1539
en Phenol, 2-allyl-4-chloro-
en Phenol, 4-chloro-2-(2-propen-1-yl)-
en Phenol, 4-chloro-2-(2-propenyl)-
References
Shared Properties
Predicate Value
InChIKey NIMAFSFVBYEOTB-UHFFFAOYSA-N, NQZKLVHWFYHXGH-UHFFFAOYSA-N
InChI InChI=1S/C11H26N2/c1-10(2,3)12-8-7-9-13-11(4,5)6/h12-13H,7-9H2,1-6H3, InChI=1S/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2
IUPAC name 2-allyl-4-chloro-phenol, 4-chloranyl-2-prop-2-enyl-phenol, 4-chloro-2-prop-2-enylphenol, N,N'-ditert-butylpropane-1,3-diamine, tert-butyl-[3-(tert-butylamino)propyl]amine
Molecular formula C11H26N2, C9H9ClO
SMILES C=CCC1=C(C=CC(=C1)Cl)O, CC(C)(C)NCCCNC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 07ea9408-e400-462c-8a69-4b8288df1723 2-allyl-4-chlorophenol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-allyl-4-chlorophenol Emissions/Emissions to water/Emissions to water, 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-allyl-4-chlorophenol||dimension=Environmental > media=Water > water_body=Unknown; cas=13997-73-4; added Common Chemistry CAS names as altLabel: 4-Chloro-2-(2-propen-1-yl)phenol, 4-Chloro-2-allylphenol, NSC 1539, Phenol, 2-allyl-4-chloro-, Phenol, 4-chloro-2-(2-propen-1-yl)-, Phenol, 4-chloro-2-(2-propenyl)-; object_uuid=fo-d5176cdcf582cfe2
cas_match_labels 1 — consensus_match group_key=2-allyl-4-chlorophenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13997-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5176cdcf582cfe2: {'13997-73-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-Chloro-2-(2-propen-1-yl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chloro-2-allylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1539', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 2-allyl-4-chloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 4-chloro-2-(2-propen-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 4-chloro-2-(2-propenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13997-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=13997-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-allyl-4-chlorophenol||dimension=Environmental > media=Water > water_body=Unknown; cas=13997-73-4; added Common Chemistry CAS names as altLabel: 4-Chloro-2-(2-propen-1-yl)phenol, 4-Chloro-2-allylphenol, NSC 1539, Phenol, 2-allyl-4-chloro-, Phenol, 4-chloro-2-(2-propen-1-yl)-, Phenol, 4-chloro-2-(2-propenyl)-; object_uuid=fo-d5176cdcf582cfe2
cas_match_labels None {'13997-73-4': 'exactMatch'} group_key=2-allyl-4-chlorophenol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13997-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5176cdcf582cfe2: {'13997-73-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "07ea9408-e400-462c-8a69-4b8288df1723",
  "name": null,
  "cas_numbers": [
    "13997-73-4"
  ],
  "ec_numbers": [
    "237-797-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "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": 243770.0
    },
    {
      "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": 243770.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "07ea9408-e400-462c-8a69-4b8288df1723",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "07ea9408-e400-462c-8a69-4b8288df1723",
      "source_flow_name": "2-allyl-4-chlorophenol",
      "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"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-allyl-4-chlorophenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-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": [
        "C11H26N2",
        "C9H9ClO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143",
          "CID:469925"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NIMAFSFVBYEOTB-UHFFFAOYSA-N",
        "NQZKLVHWFYHXGH-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143",
          "CID:469925"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C=CCC1=C(C=CC(=C1)Cl)O",
        "CC(C)(C)NCCCNC(C)(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143",
          "CID:469925"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H26N2/c1-10(2,3)12-8-7-9-13-11(4,5)6/h12-13H,7-9H2,1-6H3",
        "InChI=1S/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143",
          "CID:469925"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-allyl-4-chloro-phenol",
        "4-chloranyl-2-prop-2-enyl-phenol",
        "4-chloro-2-prop-2-enylphenol",
        "N,N'-ditert-butylpropane-1,3-diamine",
        "tert-butyl-[3-(tert-butylamino)propyl]amine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143",
          "CID:469925"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.811A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.034.347",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10177217",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:469925;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9074513",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1539",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4MA4H6DQ3X",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/469925",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:469925;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13997-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/84143",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13997-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=060590",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:469925;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=060739",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:469925;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72437197",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:84143;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83047537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:469925;CAS:13997-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13997-73-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Chloro-2-(2-propen-1-yl)phenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2-allylphenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 1539",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2-allyl-4-chloro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-chloro-2-(2-propen-1-yl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-chloro-2-(2-propenyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13997-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=13997-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "13997-73-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/07ea9408-e400-462c-8a69-4b8288df1723",
        "skos:prefLabel": "2-allyl-4-chlorophenol",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/07ea9408-e400-462c-8a69-4b8288df1723"
      },
      "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-d5176cdcf582cfe2"
}