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> Main
CHEBI:27995 - 3-methylbenzyl alcohol
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ChEBI Ontology
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ChEBI Name
3-methylbenzyl alcohol
ChEBI ID
CHEBI:27995
Definition
A methylbenzyl alcohol that is toluene in which one of the
meta
hydrogens has been replaced by a hydroxymethyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1593, CHEBI:20123
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Formula
C8H10O
Net Charge
0
Average Mass
122.165
Monoisotopic Mass
122.07316
InChI
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKey
JJCKHVUTVOPLBV-UHFFFAOYSA-N
SMILES
C1(=CC(=CC=C1)C)CO
ChEBI Ontology
Outgoing
3-methylbenzyl alcohol (
CHEBI:27995
)
is a
methylbenzyl alcohol (
CHEBI:25281
)
3-methylbenzyl alcohol (
CHEBI:27995
)
is a
primary alcohol (
CHEBI:15734
)
3-methylbenzyl alcohol (
CHEBI:27995
)
is a
toluenes (
CHEBI:27024
)
Synonyms
Sources
(3-methylphenyl)methanol
PDBeChem
3-methyl-benzenemethanol
MetaCyc
3-methylbenzyl alcohol
UniProt
m
-methyl benzyl alcohol
NIST Chemistry WebBook
m
-tolyl carbinol
NIST Chemistry WebBook
Manual Xrefs
Databases
3-METHYLBENZYL-ALCOHOL
MetaCyc
B74
PDBeChem
c0241
UM-BBD
C07216
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2324516
Reaxys Registry Number
Reaxys
587-03-1
CAS Registry Number
KEGG COMPOUND
587-03-1
CAS Registry Number
ChemIDplus
587-03-1
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
12791539
PubMed citation
Europe PMC
20082074
PubMed citation
Europe PMC
22078029
PubMed citation
Europe PMC
23071444
PubMed citation
Europe PMC
Last Modified
03 June 2024