Consensus flow list

Identity

Type
Neutral molecule
CAS
128-37-0
EC
204-881-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Butylated Hydroxytoluene

Alternative labels

111

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NLZUEZXRPGMBCV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
IUPAC name chemrof:IUPAC_name 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene
Molecular formula chemrof:molecular_formula C15H24O
Molecular mass chemrof:molecular_mass 220.356
Monoisotopic mass chemrof:monoisotopic_mass 220.182715, 220.18272
SMILES string chemrof:smiles_string Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Known URLs

49

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=128-37-0 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/GO7829B8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34247 enrich_references.chebi_id_link
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0841 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13835296.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020216 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16863 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6347 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759563 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL146 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/butylated-hydroxytoluene enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB011992 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1P9D0Z171K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033826 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.939D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14693 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02413 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14693 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02413 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-19020 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46222 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C322 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/1RWDXSUBJJ2W enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL146 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31404 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=209943 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11837686 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24612426 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24617543 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29864697 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31029976 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31780362 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32304926 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32322261 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32387881 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32397407 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32963880 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33039371 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33091556 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33519739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33792845 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34013795 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34041400 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34443068 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/448040 enrich_references.chebi_xrefs
reaxys reaxys:1911640 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1848 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q221945 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butylated_hydroxytoluene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
041f840e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-976c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0dd1b79d-0c95-4ae4-85dc-9bb4b2e49b87 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9688-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-976d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9687-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9685-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9771-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9686-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-976f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9772-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-976e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9770-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e36c034bf6f713fe",
  "prefLabel": [
    {
      "@value": "Butylated Hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-hydroxy-4-methyl-2,6-di-tert-butylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-bis(1,1-dimethylethyl)-4-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34247"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Bis(tert-butyl)-4-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di(tert-butyl)hydroxytoluene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-di-t-butyl-4-methylphenol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-di-t-butyl-p-cresol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-di-tert-butyl-1-hydroxy-4-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-di-tert-butyl-4-cresol",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-di-tert-butyl-4-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Di-tert-butyl-4-methyl phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-di-tert-butyl-4-methylhydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2,6-di-tert-butyl-4-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2,6-di-tert-butyl-p-cresol",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Di-tert-butyl-p-cresole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di-tert-butyl-p-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di-tert-butylcresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di-tert-butylmethylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Ditertbutyl paracresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-tert-Butyl-4-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Bis(1,1-dimethylethyl)-4-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Di-tert-butyl-4-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Di-tert-butyl-p-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxy-3,5-di-tert-butyltoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-2,6-bis(1,1-dimethylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-2,6-di-tert-butylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-2,6-ditertbutyl phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Additin RC 1220",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agidol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agidol 1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:128-37-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agidol 1A",
      "@language": "en",
      "@lang": "en",
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=128-37-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "204-881-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-881-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A member of the class of  phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_34247"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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