DIHYDROTERPINYL ACETATE

1. Names and Identifiers

1.2 Synonyms: CYCLOHEXANE METHANOL, ALPHA, ALPHA-4-TRIMETHYL: ACETATE; dihydro-terpineoacetate; Dihydroterpineol acetate; Einecs 261-543-9; Menthan acetate; MENTHANYL ACETATE; p-8-Menthanyl acetate; P-MENTHAN-8-YL ACETATE; p-Menthan-8-ylacetat; P-MENTHANOL-8-OL ACETATE; Terpineol, dihydro-, acetate; Terpineol,dihydro-,acetate;

1.7 Inchi: InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3

2. Properties

3. Use and Manufacturing

3.1 Description: Dihydroterpinyl Acetate is commercially available as a cis–trans mixture of p-menthan-1-yl (1) and p-menthan-8-yl (2) acetates. It is a colorless liquid with a citrus, fresh, pineneedle odor and a secondary, slightly herbaceous note. Menthanyl acetate is produced by hydrogenation of terpinyl acetates (mixtures of isomers) (e.g., in the presence of Raney nickel) or by esterification of a mixture of isomeric p-menthanols.
The estermixture is highly stable and is, therefore, used in perfumery

4. MSDS

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Pictogram(s)
Signal word	No signal word.
Hazard statement(s)	H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

5. Computed Properties

Molecular Weight：198.30188g/mol
Molecular Formula：C₁₂H₂₂O₂
Compound Is Canonicalized：True
Exact Mass：3.4
XLogP3-AA：198.161979940
Monoisotopic Mass：198.161979940
Complexity：200
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADUSAgAACCAAABAAIAACQCAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAOgAAAAAAAAACAAAAAAAAAAAAAAAAAAA==