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alcohol ChEBI ID CHEBI:27995 Definition A methylbenzyl alcohol that is toluene in which one of the meta hydrogens has been replaced by a hydroxymethyl group.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 ChemicalBook:CB9145711, eMolecules:486682, ZINC000000896729 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) 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 Last Modified 03 June 2024