Carvacrol methyl ether (Standard)

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Description

Carvacrol methyl ether (Standard) is the analytical standard of Carvacrol methyl ether. This product is intended for research and analytical applications. Carvacrol methyl ether is a carvacrol derivative isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity. Carvacrol methyl ether is a proton acceptor[1][2].

CAS Number

6379-73-3

UNSPSC

12352005

Target

Bacterial; Reference Standards

Type

Reference Standards

Related Pathways

Anti-infection; Others

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/carvacrol-methyl-ether-standard.html

Smiles

CC(C1=CC=C(C)C(OC)=C1)C

Molecular Formula

C11H16O

Molecular Weight

164.24

References & Citations

[1]Ultee A, et, al. The phenolic hydroxyl group of carvacrol is essential for action against the food-borne pathogen Bacillus cereus. Appl Environ Microbiol. 2002 Apr;68 (4) :1561-8.|[2]Ben Arfa, A., et al., (2006) . Antimicrobial activity of carvacrol related to its chemical structure. Letters in applied microbiology, 43 (2), 149–154.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Carvacryl methyl ether

carvacrol methyl ether has been reported in Cyathocline purpurea, Crithmum maritimum, and other organisms with data available.

CAS Number	6379-73-3
PubChem CID	80790
IUPAC Name	2-methoxy-1-methyl-4-propan-2-ylbenzene
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	3.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	131

SMILES

CC1=C(C=C(C=C1)C(C)C)OC

InChI

InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3

InChIKey

YVLHTQPPMZOCOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6379-73-3

CID: 80790

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Carvacrol methyl ether (Standard)

Chemical Information

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