DIHYDROTERPINYL ACETATE
- Iupac Name：2-(4-methylcyclohexyl)propan-2-yl acetate
- CAS No.: 58985-18-5
- Molecular Weight：198.30188
- Modify Date.: 2022-11-24 17:16
- Introduction:
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
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1. Names and Identifiers
- 1.1 Name
- DIHYDROTERPINYL ACETATE
- 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
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- 1.3 CAS No.
- 58985-18-5
- 1.4 CID
- 6631
- 1.5 EINECS(EC#)
- 261-543-9
- 1.6 Molecular Formula
- C12H22O2 (isomer)
- 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 InChIkey
- 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 Density
- 0.932
- 2.1 Boiling point
- 222.2 °C at 760 mmHg
- 2.1 Refractive index
- 1.448
- 2.1 Flash Point
- 87 °C
- 2.1 PSA
- 37.30000
- 2.1 logP
- 3.31360
- 2.1 Appearance
- Liquid
- 2.2 Water Solubility
- Soluble in organic solvents, insoluble in water.
3. Safety and Handling
- 3.1 Hazard Declaration
- H411
- 3.1 Caution Statement
- P273, P391, P501
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
| 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 ... |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 198.30188g/mol
- Molecular Formula: C12H22O2
- Compound Is Canonicalized: True
- XLogP3-AA: 3.4
- Exact Mass: 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==
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7. Realated Product Infomation
skype
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