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

Basic Information

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CAS Number

89-48-5

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

25°C

Boiling Point

228-229 °C

Density

0.922 g/mL at 25 °C

Refractive Index

n20/D 1.447(lit.)

Specific Rotation

D20 -79.42°

SMILES

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CC(O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)=O

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-/m1/s1

InChIKey

XHXUANMFYXWVNG-ADEWGFFLSA-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

H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

(1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexyl acetate
Menthyl acetate
1-Isopropyl-4-methylcyclohex-2-yl acetate
Menthol, acetate
Menthyl acetate racemic
FEMA Number 2668
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
Acetic acid, p-menth-3-yl ester, dl-
(+)-Neomenthyl acetate
(+/-)-Menthyl acetate
XHXUANMFYXWVNG-UHFFFAOYSA-N
d-Neomenthyl acetate
2-Isopropyl-5-methylcyclohexyl acetate
5-Methyl-2-(1-methylethyl)cyclohexanol acetate
l-Menthyl acetate (natural)
FEMA No. 2668
Neomenthol acetate
NS
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel- (9CI)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5α)- (ZCI)
Menthol, acetate, cis-1,3,trans-1,4- (8CI)
(±)-Menthol acetate
(±)-Menthyl acetate
dl-Menthyl acetate

MDL Number

MFCD00062975

FAQ

What is (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 89-48-5)?

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate is a chemical compound with CAS number 89-48-5. It has a complex structure with a specific stereochemistry. This compound is used in various applications due to its unique physical and chemical properties.

What are the main uses of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 89-48-5)?

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate is primarily used in the fragrance and flavor industry, as a perfume raw material. It is also utilized in the pharmaceutical industry as a solubilizer and in research applications for its aromatic properties.

Is (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 89-48-5) safe?

Safety measures for handling (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate include wearing appropriate personal protective equipment such as gloves and goggles. It is considered safe under normal handling conditions, but exposure should be minimized. Storage should be in a cool, dry place away from direct sunlight and heat sources. Ensure proper ventilation in the work area.

How should (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate (CAS: 89-48-5) be stored?

Store (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate in a cool, dry environment with a maximum temperature of 25°C. Keep the container tightly sealed to prevent evaporation and contamination. Store away from direct sunlight and heat sources to maintain stability. Avoid contact with incompatible materials, such as strong acids or bases. Use a sturdy, sealed container to prevent leaks and spills.