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CHEBI:27995 - 3-methylbenzyl alcohol

ChEBI IDCHEBI:27995
ChEBI Name3-methylbenzyl alcohol
Stars
DefinitionA methylbenzyl alcohol that is toluene in which one of the meta hydrogens has been replaced by a hydroxymethyl group.
Secondary ChEBI IDsCHEBI:1593, CHEBI:20123
Last Modified3 June 2024
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESCc1cccc(CO)c1
InChIInChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKeyJJCKHVUTVOPLBV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
(3-methylphenyl)methanolPDBeChem
m-methyl benzyl alcoholNIST Chemistry WebBook
m-tolyl carbinolNIST Chemistry WebBook
3-methyl-benzenemethanolMetaCyc
UniProt Name  Source
3-methylbenzyl alcoholUniProt
Manual XrefsDatabases
C07216KEGG COMPOUND
c0241UM-BBD
B74PDBeChem
3-METHYLBENZYL-ALCOHOLMetaCyc
Registry NumbersSources
Reaxys:2324516Reaxys
CAS:587-03-1KEGG COMPOUND
CAS:587-03-1ChemIDplus
CAS:587-03-1NIST Chemistry WebBook
Citations