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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:1895 - 4-methylbenzyl alcohol
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ChEBI Ontology
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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
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Formula
C8H10O
Net Charge
0
Average Mass
122.16440
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
Cc1ccc(CO)cc1
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.
View more via ChEBI Ontology
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
)
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
C06757
KEGG COMPOUND
HMDB0041609
HMDB
View more database links
Registry Numbers
Types
Sources
1856550
Reaxys Registry Number
Reaxys
589-18-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1518957
PubMed citation
Europe PMC
22033096
PubMed citation
Europe PMC
Last Modified
10 January 2017