CHEBI:27607 - thymol

Main ChEBI Ontology Automatic Xrefs
ChEBI Name thymol
ChEBI ID CHEBI:27607
Definition A phenol that is a natural monoterpene derivative of cymene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43365, CHEBI:9581, CHEBI:27006
Supplier Information
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Formula C10H14O
Net Charge 0
Average Mass 150.21756
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKey MGSRCZKZVOBKFT-UHFFFAOYSA-N
SMILES CC(C)c1ccc(C)cc1O
Roles Classification
Biological Role(s): volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
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ChEBI Ontology
Outgoing thymol (CHEBI:27607) has parent hydride p-cymene (CHEBI:28768)
thymol (CHEBI:27607) has role volatile oil component (CHEBI:27311)
thymol (CHEBI:27607) is a monoterpenoid (CHEBI:25409)
thymol (CHEBI:27607) is a phenols (CHEBI:33853)
Incoming thymol sulfate (CHEBI:82911) has functional parent thymol (CHEBI:27607)
IUPAC Name
5-methyl-2-(propan-2-yl)phenol
Synonyms Sources
1-hydroxy-5-methyl-2-isopropylbenzene ChemIDplus
2-isopropyl-5-methylphenol ChemIDplus
3-p-cymenol ChemIDplus
5-METHYL-2-(1-METHYLETHYL)PHENOL PDBeChem
5-methyl-2-isopropylphenol NIST Chemistry WebBook
6-isopropyl-3-methylphenol NIST Chemistry WebBook
6-isopropyl-m-cresol ChemIDplus
Thymol KEGG COMPOUND
Database Links Databases
C00000155 KNApSAcK
C09908 KEGG COMPOUND
D01039 KEGG DRUG
DB02513 DrugBank
IPB PDBeChem
LMPR0102090029 LIPID MAPS
View more database links
Registry Numbers Types Sources
89-83-8 CAS Registry Number ChemIDplus
89-83-8 CAS Registry Number NIST Chemistry WebBook
Last Modified
09 September 2014
General Comment
2011-02-15 Found in oil of thyme and ajwain oil.