Thymol

enlarge

Systematic / IUPAC Name: 5-Methyl-2-propan-2-ylphenol

ID: Reference3017

Other Names: m-Thymol;
p-Cymen-3-ol;
3-p-Cymenol;
Apiguard;
Cymophenol, α- ; more

Formula: C10H14O

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals Pesticides/Herbicides Natural Products/Medicines

Spectral Data

Thymol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 91
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 9/22/2015 2:40:25 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI Key MGSRCZKZVOBKFT-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C=C1)C(C)C)O
CAS 89838
Splash
Other Names m-Thymol;
p-Cymen-3-ol;
3-p-Cymenol;
Apiguard;
Cymophenol, α-;
Thymate;
Thyme camphor;
Thymic acid;
m-Cresol, 6-isopropyl-;
p-Cymene, 3-hydroxy-;
1-Hydroxy-5-methyl-2-isopropylbenzene;
1-Methyl-3-hydroxy-4-isopropylbenzene;
2-Hydroxy-1-isopropyl-4-methylbenzene;
2-Isopropyl-5-methylphenol;
3-Hydroxy-p-cymene;
3-Hydroxy-1-methyl-4-isopropylbenzene;
3-Methyl-6-isopropylphenol;
5-Methyl-2-(1-methylethyl)phenol;
5-Methyl-2-(methylethyl)phenol;
5-Methyl-2-(propan-2-yl)phenol;
5-Methyl-2-isopropyl-1-phenol;
5-Methyl-2-isopropylphenol;
5-Methyl-2-propan-2-yl-phenol;
6-Isopropyl-m-cresol;
6-Isopropyl-p-cresol;
6-Isopropyl-3-methylphenol;
Benzene,2-hydroxy,1-isopropyl,4-methyl thymol;
Isopropyl cresol;
Isopropyl-m-cresol;
Phenol, 2-isopropyl-5-methyl-;
Phenol, 5-methyl-2-(1-methylethyl)-

In Other Databases

PubChem 6989
HMDb HMDB01878
DrugBank DB02513
ChEBI CHEBI:27607
Wikipedia Thymol
KEGG D01039; C09908
ChemSpider 21105998