4-methylbenzyl alcohol (CHEBI:1895)

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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	ChemicalBook:CB5453502, eMolecules:501943, ZINC000000897142

Download	Molfile XML SDF

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Formula

C8H10O

Net Charge

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.

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

Last Modified

03 June 2024