2,4-dimethyl-6-(1-methyl-pentadecyl)phenol

← Back to consensus flows

2,4-dimethyl-6-(1-methyl-pentadecyl)phenol

UUID 7e974e42-cdb5-4b04-9be2-55496f8076b6

Flow Object ID fo-2b0a86da816ada29

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 134701-20-5

EC Numbers 411-220-5

prefLabel

Language	Value	Provenance
`en`	`2,4-dimethyl-6-(1-methyl-pentadecyl)phenol`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,4-Dimethyl-6-(1-methylpentadecyl)phenol`
`en`	`Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-`

References

Shared Properties

Predicate	Value
InChIKey	`SBFBXAVNDQFOFH-UHFFFAOYSA-N, TVWGHFVGFWIHFN-OAQYLSRUSA-N, TVWGHFVGFWIHFN-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H9BrN2O2/c12-9-8(13-11(16)14-10(9)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16), InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3, InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3/t21-/m1/s1`
IUPAC name	`2,4-dimethyl-6-(1-methylpentadecyl)phenol, 2,4-dimethyl-6-[(1R)-1-methylpentadecyl]phenol, 2-[(2R)-hexadecan-2-yl]-4,6-dimethyl-phenol, 2-[(2R)-hexadecan-2-yl]-4,6-dimethylphenol, 2-hexadecan-2-yl-4,6-dimethyl-phenol, 2-hexadecan-2-yl-4,6-dimethylphenol, 5-bromanyl-6-(phenylmethyl)-1H-pyrimidine-2,4-dione, 5-bromo-6-(phenylmethyl)-1H-pyrimidine-2,4-dione, 6-benzyl-5-bromo-1H-pyrimidine-2,4-dione, 6-benzyl-5-bromo-uracil`
Molecular formula	`C11H9BrN2O2, C24H42O`
SMILES	`C1=CC=C(C=C1)CC2=C(C(=O)NC(=O)N2)Br, CCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C)C, CCCCCCCCCCCCCC[C@@H](C)C1=CC(=CC(=C1O)C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7e974e42-cdb5-4b04-9be2-55496f8076b6`	2,4-dimethyl-6-(1-methyl-pentadecyl)phenol

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,4-dimethyl-6-(1-methyl-pentadecyl)phenol	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=2,4-dimethyl-6-(1-methyl-pentadecyl)phenol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=134701-20-5; added Common Chemistry CAS names as altLabel: 2,4-Dimethyl-6-(1-methylpentadecyl)phenol, Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-; object_uuid=fo-2b0a86da816ada29
`cas_match_labels`	1	`—`	consensus_match	group_key=2,4-dimethyl-6-(1-methyl-pentadecyl)phenol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'134701-20-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b0a86da816ada29: {'134701-20-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,4-Dimethyl-6-(1-methylpentadecyl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:134701-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=134701-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:134701-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=134701-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,4-dimethyl-6-(1-methyl-pentadecyl)phenol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=134701-20-5; added Common Chemistry CAS names as altLabel: 2,4-Dimethyl-6-(1-methylpentadecyl)phenol, Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-; object_uuid=fo-2b0a86da816ada29
`cas_match_labels`	`None`	`{'134701-20-5': 'exactMatch'}`	group_key=2,4-dimethyl-6-(1-methyl-pentadecyl)phenol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'134701-20-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b0a86da816ada29: {'134701-20-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7e974e42-cdb5-4b04-9be2-55496f8076b6",
  "name": null,
  "cas_numbers": [
    "134701-20-5"
  ],
  "ec_numbers": [
    "411-220-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "7e974e42-cdb5-4b04-9be2-55496f8076b6",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "7e974e42-cdb5-4b04-9be2-55496f8076b6",
      "source_flow_name": "2,4-dimethyl-6-(1-methyl-pentadecyl)phenol",
      "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 air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,4-dimethyl-6-(1-methyl-pentadecyl)phenol",
      "@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-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H9BrN2O2",
        "C24H42O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362",
          "CID:266453",
          "CID:76969152"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SBFBXAVNDQFOFH-UHFFFAOYSA-N",
        "TVWGHFVGFWIHFN-OAQYLSRUSA-N",
        "TVWGHFVGFWIHFN-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362",
          "CID:266453",
          "CID:76969152"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C=C1)CC2=C(C(=O)NC(=O)N2)Br",
        "CCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C)C",
        "CCCCCCCCCCCCCC[C@@H](C)C1=CC(=CC(=C1O)C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362",
          "CID:266453",
          "CID:76969152"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H9BrN2O2/c12-9-8(13-11(16)14-10(9)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)",
        "InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3",
        "InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3/t21-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362",
          "CID:266453",
          "CID:76969152"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,4-dimethyl-6-(1-methylpentadecyl)phenol",
        "2,4-dimethyl-6-[(1R)-1-methylpentadecyl]phenol",
        "2-[(2R)-hexadecan-2-yl]-4,6-dimethyl-phenol",
        "2-[(2R)-hexadecan-2-yl]-4,6-dimethylphenol",
        "2-hexadecan-2-yl-4,6-dimethyl-phenol",
        "2-hexadecan-2-yl-4,6-dimethylphenol",
        "5-bromanyl-6-(phenylmethyl)-1H-pyrimidine-2,4-dione",
        "5-bromo-6-(phenylmethyl)-1H-pyrimidine-2,4-dione",
        "6-benzyl-5-bromo-1H-pyrimidine-2,4-dione",
        "6-benzyl-5-bromo-uracil"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362",
          "CID:266453",
          "CID:76969152"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.808.330K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:266453;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J911.621D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.070",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.167.124",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=134701-20-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "134701-20-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2051685",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80295699",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:266453;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=104461",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:266453;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OGQ74R167A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/164362",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[134701-20-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/266453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:266453;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[134701-20-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/76969152",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:76969152;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[134701-20-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27285648",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164362;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82035768",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:266453;CAS:134701-20-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[134701-20-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Dimethyl-6-(1-methylpentadecyl)phenol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134701-20-5",
          "https://commonchemistry.cas.org/detail?cas_rn=134701-20-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:134701-20-5",
          "https://commonchemistry.cas.org/detail?cas_rn=134701-20-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "134701-20-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/7e974e42-cdb5-4b04-9be2-55496f8076b6",
        "skos:prefLabel": "2,4-dimethyl-6-(1-methyl-pentadecyl)phenol",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/7e974e42-cdb5-4b04-9be2-55496f8076b6"
      },
      "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-2b0a86da816ada29"
}