alpha-Terpinyl acetate

alpha-Terpinyl acetate
Compound Structure:
Synonyms: Terpinyl acetate;ALPHA-TERPINYL ACETATE;80-26-2;Terpineol, acetate;8007-35-0;p-Menth-1-en-8-yl acetate;p-Menth-1-en-8-ol, acetate;alpha-Terpineol acetate;(+/-)-alpha-Terpinyl acetate;alpha-Terpineol, acetate;.alpha.-Terpinyl acetate
Compound ID: NMPC-606
PubChem ID:

111037
Molecular Formula: C12H20O2
Canonical SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)C
InChIKey: IGODOXYLBBXFDW-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H411 (96.49%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

196.29 g/mol

XLogP3-AA

2.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

196.146329876 g/mol

Monoisotopic Mass

196.146329876 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

251

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

colourless liquid with a sweet, refreshing, herbaceous odour

Boiling Point

115.00 °C. @ 2.00 mm Hg

Density

0.953-0.962

Solubility 

soluble in alcohol, most fixed oils, propylene glycol, mineral oil; slightly soluble in glycerol; insoluble in water

Source: PubChem
Source Species: Tithonia diversifolia
Brachystegia eurycoma
Eucalyptus tereticornis
Tagetes erecta
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