Thymol methyl ether

CAT: 0013-GTR19243424-04Size: 50 mgDry Ice: NoHazardous: No

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Description

Thymol methyl ether (2-methoxy-4-methyl-1- (propan-2-yl) benzene) is a volatile substance present in the rhizomes of Arnica officinalis with potential antibacterial and anticancer antioxidant activity.

CAS Number

1076-56-8

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Smiles

O (C1=CC (=CC=C1C (C) C) C) C

Molecular Formula

C11H16O

Molecular Weight

164.24

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Thymyl methyl ether

Thymol methyl ether is a monoterpenoid.

CAS Number	1076-56-8
PubChem CID	14104
IUPAC Name	2-methoxy-4-methyl-1-propan-2-ylbenzene
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	3.8
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=CC(=C(C=C1)C(C)C)OC

InChI

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

InChIKey

LSQXNMXDFRRDSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1076-56-8

CID: 14104

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	3.8
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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Catalog	Name
TN6884-01	Thymol methyl ether
283134-01	Methyl thymol blue
1746E 00025	Methyl Thymol Blue AR
01748 00005	Methyl Thymol Blue Complexone
306565-01	Methyl Thymol Blue (pH Indicator) AR (Methyl Red Thymol Blue)
MBS6046747-01	Triclosan Methyl Ether (Methyl Ether Triclosan)
050165-01	Chloro Methyl Methyl Ether
1131040 5	Methyl Thymol Blue Complexone Indicator grade
703008	CYCLOPENTYL METHYL ETHER
FT28422-01	Triclosan methyl ether

Thymol methyl ether

Chemical Information

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