← Back to consensus flows

Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

UUID 06ba833b-8d87-4df1-86b6-cf883d4ce7dd
Deprecated yes
Replaced By 13161aa2-a479-41ff-a157-061a47a139a7
Flow Object IDfo-bc8fd8dfa013cded
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 66423-13-0
EC Numbers 266-358-7
prefLabel
Language Value Provenance
en Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate
altLabel ⓘ
Language Value Provenance
en B 5
en Lanxess B 5
en Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate
en Preventol B 5
en Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-
en Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-
en Octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate
References
Shared Properties
Predicate Value
InChIKey QWQMRXFSCXUHMR-OAHLLOKOSA-N
InChI InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1
IUPAC name (2R)-2-(4-chloro-2-methyl-phenoxy)propionic acid octyl ester, (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid octyl ester, octyl (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoate, octyl (2R)-2-(4-chloro-2-methyl-phenoxy)propanoate, octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate
Molecular formula C18H27ClO3
SMILES CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C, CCCCCCCCOC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 06ba833b-8d87-4df1-86b6-cf883d4ce7dd octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate

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=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=66423-13-0; added Common Chemistry CAS names as altLabel: B 5, Lanxess B 5, Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate, Preventol B 5, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-; object_uuid=fo-bc8fd8dfa013cded
cas_match_labels 1 — consensus_match group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'66423-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc8fd8dfa013cded: {'66423-13-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lanxess B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Preventol B 5', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:66423-13-0', 'https://commonchemistry.cas.org/detail?cas_rn=66423-13-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=66423-13-0; added Common Chemistry CAS names as altLabel: B 5, Lanxess B 5, Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate, Preventol B 5, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-, Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-; object_uuid=fo-bc8fd8dfa013cded
cas_match_labels None {'66423-13-0': 'exactMatch'} group_key=octyl(2r)-2-(4-chloro-2-methylphenoxy)propanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'66423-13-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc8fd8dfa013cded: {'66423-13-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "06ba833b-8d87-4df1-86b6-cf883d4ce7dd",
  "name": null,
  "cas_numbers": [
    "66423-13-0"
  ],
  "ec_numbers": [
    "266-358-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "06ba833b-8d87-4df1-86b6-cf883d4ce7dd",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "06ba833b-8d87-4df1-86b6-cf883d4ce7dd",
      "source_flow_name": "octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate",
      "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": "Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "CID:6455325"
        ],
        "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": [
        "C18H27ClO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QWQMRXFSCXUHMR-OAHLLOKOSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C",
        "CCCCCCCCOC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2R)-2-(4-chloro-2-methyl-phenoxy)propionic acid octyl ester",
        "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid octyl ester",
        "octyl (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoate",
        "octyl (2R)-2-(4-chloro-2-methyl-phenoxy)propanoate",
        "octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.788E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.060.307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00216644",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6455325",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[66423-13-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q76390107",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6455325;CAS:66423-13-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66423-13-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lanxess B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl (2<em>R</em>)-2-(4-chloro-2-methylphenoxy)propanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol B 5",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (2<em>R</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, octyl ester, (<em>R</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66423-13-0",
          "https://commonchemistry.cas.org/detail?cas_rn=66423-13-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyl (2r)-2-(4-chloro-2-methylphenoxy)propanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "06ba833b-8d87-4df1-86b6-cf883d4ce7dd"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "66423-13-0": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:13161aa2-a479-41ff-a157-061a47a139a7",
  "is_replaced_by_uuid": "13161aa2-a479-41ff-a157-061a47a139a7",
  "flow_object_id": "fo-bc8fd8dfa013cded"
}