CHEBI:27995 - 3-methylbenzyl alcohol

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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alcohol ChEBI ID CHEBI:27995 Definition A methylbenzyl alcohol that is toluene in which one of the meta hydrogens has been replaced by a hydroxymethyl group.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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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) 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 05 February 2018