(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate

Basic Information

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CAS Number

5157-89-1

Molecular Formula

C12H22O2

Molecular Weight

198.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Bp 228-230 °

Boiling Point

228-229 °C

Refractive Index

n20/D 1.446(lit.)

Vapor Pressure

0.1±0.5 mmHg at 25°C

SMILES

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CC1CCC(C(C1)OC(=O)C)C(C)C

InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1

InChIKey

XHXUANMFYXWVNG-WCQGTBRESA-N

LogP

3.0103000000000018

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

199

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

(+-)-Menthyl acetate
(dl)-Menthyl acetate
2-Isopropyl-5-methylcyclohexyl acetate, (1.alpha.,2.beta.,5.alpha.)-
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl acetate
(+)-menthyl acetate
SCHEMBL891570
MFCD00062977
menthol acetate
DL-p-Menth-3-yl acetate
5157-89-1
(1S,2R,5S)-5-methyl-2-(isopropyl)cyclohexanol 1-acetate
HY-W317408
(+-)-Menthol acetate
T72555
M2631
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
XHXUANMFYXWVNG-WCQGTBRESA-N
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-
(+)-(1S)-Menthylacetate
(+)-Acetoxy-p-menthane
(1S,2R,5S)-2-isopropyl-5-methylcyclohexylacetate
AS-76234
NS00003028
acetic acid (1s)-menthyl ester
(.+/-.)-Menthol acetate
CS-0357100
J-500419
(1S)-(+)-Menthyl acetate
(1S)-(+)-Menthyl acetate, analytical standard
DTXSID701026539

MDL Number

MFCD00062977

FAQ

What is (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 5157-89-1)?

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate is a cyclic ester with a unique carbon skeleton, characterized by its chiral centers. It is often used as a fragrance ingredient and solubilizer in cosmetics and pharmaceuticals.

What are the main uses of (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 5157-89-1)?

This compound is primarily used as a fragrance ingredient in cosmetics and perfumes. It is also utilized in the pharmaceutical industry as a solubilizer and in the food industry as a flavoring agent.

Is (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 5157-89-1) safe?

Generally, (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate is considered safe when used in cosmetics and food products as per current regulations. However, it is important to follow all safety guidelines and use personal protective equipment when handling.

How should (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 5157-89-1) be stored?

Store this compound in a cool, dry place away from direct sunlight and heat sources. Use a tightly sealed container to prevent evaporation and contamination. Maintain a temperature range below 30°C and keep it away from moisture to ensure its stability.