Consensus flow list

Identity

Type
Neutral molecule
CAS
589-18-4
EC
209-639-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-methylbenzyl Alcohol

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KMTDMTZBNYGUNX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
IUPAC name chemrof:IUPAC_name 4-methylbenzyl Alcohol
Molecular formula chemrof:molecular_formula C8H10O
Molecular mass chemrof:molecular_mass 122.167
Monoisotopic mass chemrof:monoisotopic_mass 122.07316, 122.073165
SMILES string chemrof:smiles_string Cc1ccc(CO)cc1

Known URLs

30

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=31831-37-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=589-18-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:1895 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.764 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.191 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5025574 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3992 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL90100 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/4-methylbenzyl-alcohol enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB021764 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EXZ915A627 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041609 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.550A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06757 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06757 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49446 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=4-METHYLBENZYL-ALCOHOL enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11505 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1518957 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22033096 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31201469 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32361489 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33675814 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33867022 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36224107 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37127899 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/38485040 enrich_references.chebi_xrefs
reaxys reaxys:1856550 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0200 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27067434 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
65b1d50f-f735-40dc-89c1-35158afde2ab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d9106b0f-b377-4c87-acc9-1d2690e23229 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f3c6c97d-edad-4aee-a5a6-6b5afab8678e Environmental → Air → Indoor EF 3.1 kg 2
edc30f05-9262-4fc6-afef-bacc0d8141c0 Environmental → Air → Long-term EF 3.1 kg 0
fce4d2a4-697d-4557-b650-8be22b456948 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8c34a72a-8114-4fb0-8e35-194fa98d424b Environmental → Air → Unknown EF 3.1 kg 2
d41146a6-811d-42f7-8257-97013722b9b5 Environmental → Ground → Agricultural EF 3.1 kg 2
4c8ac0bf-b6d2-4c15-8cb9-06428c8bb7ad Environmental → Ground → Non-agricultural EF 3.1 kg 2
70f37051-38b1-4fd1-b567-c202b8598b2a Environmental → Ground → Unknown EF 3.1 kg 2
f16e9cfc-ecfc-4b6a-ba8e-5fe974943cd4 Environmental → Water → Long-term EF 3.1 kg 0
022033ec-848f-4505-bcce-92e64de0ae92 Environmental → Water → Ocean EF 3.1 kg 2
330fb2c4-afd7-4f09-b463-e2b5f49cc881 Environmental → Water → Surface water EF 3.1 kg 2
abc526df-b5b2-4e8a-bfd1-eb87351cdb35 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-76cb116bbb1c7396",
  "prefLabel": [
    {
      "@value": "4-methylbenzyl Alcohol",
      "@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": "(4-methylphenyl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_1895"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(4-Tolyl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-18-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(hydroxymethyl)toluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methylbenzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=589-18-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tolylcarbinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Hydroxy-p-xylene",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzenemethanol, 4-methyl-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, p-methyl-",
      "@language": "en",
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    },
    {
      "@value": "p-methylbenzyl alcohol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Tolualcohol",
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    },
    {
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    },
    {
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    },
    {
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  },
  "references": [
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