CHEBI:231516 - 2,4-dimethylbenzyl alcohol

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ChEBI Name 2,4-dimethylbenzyl alcohol
ChEBI ID CHEBI:231516
Definition A methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
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Formula C9H12O
Net Charge 0
Average Mass 136.194
Monoisotopic Mass 136.08882
InChI InChI=1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3
InChIKey QUIMJTKRVOBTQN-UHFFFAOYSA-N
SMILES CC1=CC=C(CO)C(C)=C1
Roles Classification
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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ChEBI Ontology
Outgoing 2,4-dimethylbenzyl alcohol (CHEBI:231516) has role rat metabolite (CHEBI:86264)
2,4-dimethylbenzyl alcohol (CHEBI:231516) has role xenobiotic metabolite (CHEBI:76206)
2,4-dimethylbenzyl alcohol (CHEBI:231516) is a aromatic primary alcohol (CHEBI:33857)
2,4-dimethylbenzyl alcohol (CHEBI:231516) is a methylbenzyl alcohol (CHEBI:25281)
IUPAC Name
(2,4-dimethylphenyl)methanol
Synonyms Sources
1-(hydroxymethyl)-2,4-dimethylbenzene ChEBI
2,4-dimethylbenzenemethanol ChEBI
2,4-dimethylbenzyl alcohol UniProt
Registry Numbers Types Sources
16308-92-2 CAS Registry Number NIST Chemistry WebBook
1859679 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10809692 PubMed citation SUBMITTER
2728490 PubMed citation Europe PMC
Last Modified
03 June 2024