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4-hexylresorcinol

fo-2f145e1994445aa1

Identity

Type
Neutral molecule
CAS
136-77-6
EC
205-257-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-hexylresorcinol

Alternative labels

30

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WFJIVOKAWHGMBH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
IUPAC name chemrof:IUPAC_name 4-hexylresorcinol
Molecular formula chemrof:molecular_formula C12H18O2
Molecular mass chemrof:molecular_mass 194.274
Monoisotopic mass chemrof:monoisotopic_mass 194.13068
SMILES string chemrof:smiles_string CCCCCCc1ccc(O)cc1O

Known URLs

23

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=136-77-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:93749 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020699 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11254 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1374 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1374 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1570 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757056 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL443605 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R9QTB5E82N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032567 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.020F enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04441 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-4250 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45612 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29092 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/URLMZ5B2S8LG enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL443605 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3610 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=123926 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/5321 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q229969 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Hexylresorcinol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
597cb020-e3e3-4410-8a94-7653b503c0f5 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
e2b07722-f8c7-4046-9103-d7d799958e97 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
8c73763f-803b-413d-8fef-bef75284b3e5 Environmental → Air → Indoor EF 3.1 kg 0
1d94710b-d686-44eb-b088-5e4f210965f9 Environmental → Air → Long-term EF 3.1 kg 0
0188db44-ca0a-4aa8-9bb3-ffbd5e53dd49 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
8cf38820-be32-49f7-b619-ef7e19afa66f Environmental → Air → Unknown EF 3.1 kg 0
42cb2884-beca-41b0-ae48-14264dd626a1 Environmental → Ground → Agricultural EF 3.1 kg 0
8cc3a924-0ff8-4487-822a-584833b79b28 Environmental → Ground → Non-agricultural EF 3.1 kg 0
7c1aa5b4-91d1-4d0d-ae95-10e9c38a80ad Environmental → Ground → Unknown EF 3.1 kg 0
58b7e919-6f53-4977-bf91-57e50f96b3f1 Environmental → Water → Long-term EF 3.1 kg 0
34bdb754-890d-4967-aa69-cff39e168dd9 Environmental → Water → Ocean EF 3.1 kg 0
8948e533-5f8e-4c3f-9417-4bf18b165bbc Environmental → Water → Surface water EF 3.1 kg 0
f96616d5-2dcc-445f-b9eb-d16bfc58e2b2 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2f145e1994445aa1",
  "prefLabel": [
    {
      "@value": "4-hexylresorcinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenediol, 4-hexyl-",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "1,3-Dihydroxy-4-hexylbenzene",
      "@language": "en",
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    },
    {
      "@value": "1-(2′,4′-Dihydroxyphenyl)hexane",
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      }
    },
    {
      "@value": "4-(1-Hexyl)resorcinol",
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    },
    {
      "@value": "4-Hexyl-1,3-benzenediol",
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    {
      "@value": "4-Hexyl-1,3-dihydroxybenzene",
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    },
    {
      "@value": "4-Hexylresorcine",
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    },
    {
      "@value": "4-n-Hexylresorcinol",
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    {
      "@value": "Adrover",
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    {
      "@value": "antascarin",
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    },
    {
      "@value": "ascarinol",
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    },
    {
      "@value": "Ascaryl",
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    },
    {
      "@value": "Caprokol",
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      }
    },
    {
      "@value": "Crystoids",
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    {
      "@value": "Cystoids Anthelmintic",
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      }
    },
    {
      "@value": "EverFresh",
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      }
    },
    {
      "@value": "Gelovermin",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexylresorcinol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hidesol",
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        ],
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    },
    {
      "@value": "MeSH ID: D006604",
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          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mycoderm",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
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      }
    },
    {
      "@value": "Oxana",
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          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hexylresorcinol",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
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      }
    },
    {
      "@value": "Prensol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Resorcinol, 4-hexyl-",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "S.T. 37",
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          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sucrets",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=136-77-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Synovea HR",
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        ],
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      }
    },
    {
      "@value": "Worm-Agen",
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  ],
  "properties": {
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      "@value": [
        "C12H18O2"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        }
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    },
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      "@value": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3"
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