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DIHYDROTERPINYL ACETATE

CAS：80-25-1
MW:198.30188
MF：C12H22O2

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: DIHYDROTERPINYL ACETATE

1.2 Synonyms: 1-Methyl-1-(4-methylcyclohexyl)ethyl acetate; 2-(4-Methylcyclohexyl)propan-2-yl acetate; alpha,alpha,4-Trimethylcyclohexylmethylacetat; CYCLOHEXANE METHANOL, ALPHA, ALPHA-4-TRIMETHYL: ACETATE; Cyclohexanemethanol, α,α,4-trimethyl-, 1-acetate; Cyclohexanemethanol, α,α,4-trimethyl-, acetate; Dihydro-α-terpinyl acetate; MENTHANYL ACETATE; PARA-MENTHAN-8-OL,ACETATE; p-Menthan-8-ol, acetate; P-MENTHAN-8-YL ACETATE; P-MENTHANOL-8-OL ACETATE;

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1.3 CAS No.: 80-25-1

1.4 CID: 6631

1.5 EINECS: 201-264-1

1.6 Molecular Formula: C12H22O2

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

1.8 InChkey: HBNHCGDYYBMKJN-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1CCC(CC1)C(C)(C)OC(=O)C

1.10 Isomers Smiles: CC1CCC(CC1)C(C)(C)OC(=O)C

2. Properties

2.1 Color/Form: A colourless liquid with a somewhat herbaceous-like odour

3. Use and Manufacturing

3.1 Description: Liquid

4. Safety and Handling

4.1 Report: Reported in EPA TSCA Inventory.

4.2 Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

4.3 Specification: Dihydroterpinyl acetate ,its CAS NO. is 80-25-1,the synonyms is P-menthanol-8-ol acetate ; P-menthan-8-yl acetate ; Cyclohexane methanol, alpha, alpha-4-trimethyl: acetate ; Menthanyl acetate ; 1-Methyl-1-(4-methylcyclohexyl)ethyl acetate ; Acetic acid, dihydroterpinyl ester ; Acetic acid, p-menthan-8-ol ester .

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4.4 Toxicity: The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

80-25-1Total: 2 Synthesis Route

108-24-7

80-25-1 17 Suppliers

498-81-7 56 Suppliers

108-24-7

80-25-1 17 Suppliers

7. Precursor and Product

precursor:

498-81-7

8. 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==

9.Other Information

Manufacturing Info: All other chemical product and preparation manufacturing|Terpineol, dihydro-, acetate: ACTIVE|Cyclohexanemethanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate: ACTIVE