Carvacrol

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

ID: Reference13919

Other Names: AA-4749

Formula: C10H14O

Class: Endogenous Metabolites Natural Products/Medicines Pesticides/Herbicides Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 100
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 10:26:26 AM
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Identificators

InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChI Key RECUKUPTGUEGMW-UHFFFAOYSA-N
Canonical SMILES Cc1ccc(C(C)C)cc1O
CAS
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Other Names AA-4749

In Other Databases

HMDb HMDB0035770; HMDB0035770
ChEBI CHEBI:3440
LipidsMAPs LMPR0102090017
ChemSpider More details; 21105867
PubChem 10364; 10364
Wikipedia Carvacrol
ChEMBL CHEMBL281202
KEGG C09840