Thymol methyl ether

Thymol methyl ether
Compound Structure:
Synonyms: 1076-56-8 ;2-Isopropyl-5-methylanisole ;Thymol methyl ether ;O-Methylthymol Thymyl methyl ether
Compound ID: NMPC-1536
PubChem ID:

14104
Molecular Formula: C11H16O
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OC
InChIKey: LSQXNMXDFRRDSJ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H315 (96.23%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (96.23%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

164.24 g/mol

XLogP3

3.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

164.120115130 g/mol

Monoisotopic Mass

164.120115130 g/mol

Topological Polar Surface Area

9.2Ų

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

Physical Description

colourless, oily liquid with a warm-spicy rooty herbaceous note

Boiling Point

214.00 to 216.00 °C. @ 760.00 mm Hg

Density

0.936-0.940

Solubility 

Insoluble in water; Soluble in oils

Source:PubChem
Source Species: Laggera aurita
Tithonia diversifolia
Brachystegia eurycoma
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