4-tert-Butylcyclohexyl acetate

Basic Information

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CAS Number

32210-23-4

Molecular Formula

C12H22O2

Molecular Weight

198.3 g/mol

EINECS

250-954-9

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

228 - 230 C

Boiling Point

228-230 °C25 mm Hg

Density

0.934 g/mL at 25 °C

Water Solubility

39.6mg/L at 20℃

Flash Point

212 °F

Refractive Index

n20/D 1.452(lit.)

Vapor Pressure

7.9Pa at 25℃

Odor

木质香花香果香

SMILES

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CC(=O)OC1CCC(CC1)C(C)(C)C

InChI

1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3

InChIKey

MBZRJSQZCBXRGK-UHFFFAOYSA-N

LogP

4.8 at 25℃

Complexity

195

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

稳定的。易燃。与强氧化剂不相容。

Synonyms & References

English

(4-tert-Butylcyclohexyl)acetate,c&t
4-(1,1-dimethylethyl)-cyclohexanoacetate
4-butylcyclohexylacetate
4-t-Butylcyclohexyl acetate
PTBCHA
PARA TERTIARY BUTYL CYCLOHEXANYL ACETATE
PARA TERTIARY BUTYL CYCLOHEXANYL ACETATE HIGH CIS
VERTENEX
4-tert-Butylcyclohexyl acetate
4-tert-Butylcyclohexyl Acetate (cis- and trans- mixture)
4-tert-Butylhexahydrophen
acetate iris ester
acetic acid 4-tert-butyl-cyclohexyl ester
Acetic Acid 4-tert-Butylcyclohexyl Ester
para-tert-butyl cyclohexyl acetate
PTBCHA HIGH CIS
p-tert-Butylcyclohexyl
VERTENEX HC
VERTENEX INTERCIS
YLANAT
Acetic Acid 4-tert-Butylcyclohexyl Ester (cis- and trans- mixture)
Cyclohexanol,4-(1,1-dimethylethyl)-, acetate (9CI)
Cyclohexanol, 4-tert-butyl-, acetate(6CI,7CI,8CI)
4-(1,1-Dimethylethyl)cyclohexyl acetate
4-tert-Butylcyclohexanol acetate
Boisinol A464D
Dorisyl
Madeflor
NSC 163103
Oryclon extra
Oryclone

MDL Number

MFCD00019354

EC Number

250-954-9

Customs Code

2915.39.9000

FAQ

What are the physical and chemical properties of 4-tert-Butylcyclohexyl acetate (CAS: 32210-23-4)?

4-tert-Butylcyclohexyl acetate is a colorless to light yellow liquid with a fruity odor. It has a molecular weight of approximately 198.24 g/mol and a high solubility in organic solvents. The compound is relatively stable but can react with strong bases. It is used as a fragrance ingredient and in chemical synthesis. Its melting point is around -40°C and boiling point is around 215°C.

How is 4-tert-Butylcyclohexyl acetate (CAS: 32210-23-4) typically synthesized?

4-tert-Butylcyclohexyl acetate is typically synthesized by the esterification of acetic acid with tert-butylcyclohexanol in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is performed at elevated temperatures, and water is removed to drive the reaction to completion. The yield is generally around 85-90%, and the product is purified by distillation.

What industries use 4-tert-Butylcyclohexyl acetate (CAS: 32210-23-4)?

4-tert-Butylcyclohexyl acetate is primarily used in the fragrance and flavor industry due to its pleasant fruity aroma. It is also used in the personal care industry as a fragrance additive. Additionally, it can be found in some pharmaceutical products and as a chemical intermediate in industrial applications.

What precautions should be taken when handling 4-tert-Butylcyclohexyl acetate (CAS: 32210-23-4)?

When handling 4-tert-Butylcyclohexyl acetate, proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from direct sunlight. Fume hoods should be used when mixing or reacting with this compound. In case of spill, it should be cleaned up using absorbent materials and appropriate waste disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.