2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate

Basic Information

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CAS Number

80-26-2

Molecular Formula

C12H20O2

Molecular Weight

196.29 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

Boiling Point

94°C/4mmHg

Density

0.953 g/mL at 25 °C

Refractive Index

n20/D 1.464-1.467<br />n20/D 1.465(lit.)

SMILES

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CC1=CCC(CC1)C(C)(C)OC(=O)C

InChI

InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

InChIKey

IGODOXYLBBXFDW-UHFFFAOYSA-N

LogP

3.0745000000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

251

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

Synonyms & References

English

(+/-)-alpha-terpinyl acetate
Terpinyl acetate
p-menth-1-en-8-yl acetate
Terpinyl Acetate (mixture of isomers)
(±)-α-Terpinyl acetate, predominantly α-isomer
TERPINYL ACETATE(AS)
ALPHA-TERPINYL ACETATE
Terpineol acetate
Terpineol, acetate
p-Menth-1-en-8-ol, acetate
alpha-Terpineol, acetate
.alpha.-Terpinyl acetate
alpha-Terpineol acetate
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate
DSSTox_CID_6496
DSSTox_RID_78123
DSSTox_GSID_26496
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
(+/-)-2-(4-Methyl-3-cyclohexenyl)isopropyl acetate
[1-methyl-1-(4-methylcycl
α-Terpinyl acetate
p-Menth-1-en-8-yl acetate

MDL Number

MFCD00037155

Customs Code

2915390090

FAQ

What is 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2)?

2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2) is an organic ester compound characterized by its cyclohexenyl ring and propanyl group. It has the chemical formula C10H18O2 and is a colorless liquid with a distinct aromatic odor. This compound is known for its solubility in organic solvents and stability under normal conditions.

What are the main uses of 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2)?

The compound is primarily used as a solvent in industrial applications due to its ability to dissolve a wide range of substances. It also finds applications in the fragrance industry for its aromatic properties and is occasionally used in pharmaceutical research as a precursor for synthesizing other compounds. Additionally, it may serve as a flavoring agent in certain food products.

Is 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2) safe?

While 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2) is generally considered safe when handled properly, it should be treated with caution. It may be flammable and harmful if inhaled or ingested. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in well-ventilated areas to minimize exposure risks.

How should 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl acetate (CAS: 80-26-2) be stored?

This compound should be stored in a cool, dry, and dark location to maintain stability. It is best kept in a sealed, airtight container to prevent exposure to air and moisture. Storage at temperatures below 25°C is recommended, and it should be away from heat sources and incompatible materials to avoid degradation or hazardous reactions.