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Carvacrol

CAT: 1596-AR-C01529-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01529-02Size:25 Units
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CAS Number
499-75-2
Synonyms
5-isopropyl-2-methylphenol; 2-Methyl-5- (1-methylethyl) phenol; 2-Hydroxy-1-methyl-4- (1-methylethyl) benzene; 2-Hydroxy-p-cymene; 2-Methyl-5- (1-methylethyl) phenol; 2-Methyl-5-isopropylphenol; 3-Isopropyl-6-methylphenol; 5-Isopropyl-2-methylphenol; 5-Isopropyl-o-cresol; 6-Methyl-3-isopropylphenol; Antioxine; Dentol; Isopropyl o-Cresol; Isothymol; NSC 6188; p-Cymen-2-ol
Molecular Formula
C10H14O
Molecular Weight
150.22
API Name
Carvacrol

Chemical Information

Carvacrol

Carvacrol is a phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). It has a role as a TRPA1 channel agonist, a volatile oil component, an antimicrobial agent, an agrochemical and a flavouring agent. It is a p-menthane monoterpenoid, a member of phenols and a botanical anti-fungal agent. It derives from a hydride of a p-cymene.

CAS Number499-75-2
PubChem CID10364
IUPAC Name2-methyl-5-propan-2-ylphenol
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity120
SMILES
CC1=C(C=C(C=C1)C(C)C)O
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChIKey
RECUKUPTGUEGMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carvacrol
CAS: 499-75-2
CID: 10364
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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