CHEBI:1895 - 4-methylbenzyl alcohol

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ChEBI Name 4-methylbenzyl alcohol
ChEBI ID CHEBI:1895
Definition A methylbenzyl alcohol in which the methyl substituent is para to the hydroxymethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25828
Supplier Information
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Formula C8H10O
Net Charge 0
Average Mass 122.167
Monoisotopic Mass 122.07316
InChI InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey KMTDMTZBNYGUNX-UHFFFAOYSA-N
SMILES CC1=CC=C(CO)C=C1
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
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ChEBI Ontology
Outgoing 4-methylbenzyl alcohol (CHEBI:1895) has role fragrance (CHEBI:48318)
4-methylbenzyl alcohol (CHEBI:1895) has role xenobiotic metabolite (CHEBI:76206)
4-methylbenzyl alcohol (CHEBI:1895) is a methylbenzyl alcohol (CHEBI:25281)
4-methylbenzyl alcohol (CHEBI:1895) is a toluenes (CHEBI:27024)
IUPAC Name
(4-methylphenyl)methanol
Synonyms Sources
4-(hydroxymethyl)toluene ChemIDplus
4-methylbenzyl alcohol KEGG COMPOUND
4-methylbenzyl alcohol UniProt
4-tolylcarbinol KEGG COMPOUND
alpha-Hydroxy-p-xylene KEGG COMPOUND
p-methylbenzyl alcohol ChemIDplus
p-tolyl alcohol ChemIDplus
p-tolylcarbinol ChemIDplus
Manual Xrefs Databases
4-METHYLBENZYL-ALCOHOL MetaCyc
c0200 UM-BBD
C06757 KEGG COMPOUND
FDB021764 FooDB
HMDB0041609 HMDB
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Registry Numbers Types Sources
1856550 Reaxys Registry Number Reaxys
589-18-4 CAS Registry Number KEGG COMPOUND
589-18-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1518957 PubMed citation Europe PMC
22033096 PubMed citation Europe PMC
31201469 PubMed citation Europe PMC
32361489 PubMed citation Europe PMC
33675814 PubMed citation Europe PMC
33867022 PubMed citation Europe PMC
36224107 PubMed citation Europe PMC
37127899 PubMed citation Europe PMC
38485040 PubMed citation Europe PMC
Last Modified
03 June 2024