1-Isopropyl-4-methyl-1,3-cyclohexadiene

Basic Information

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CAS Number

99-86-5

Molecular Formula

C10H16

Molecular Weight

136.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-59.03°C (estimate)

Boiling Point

173-175 °C

Density

0.837 g/mL at 25 °C

Water Solubility

Soluble in ether, alcohol, and ethanol (100 mg/ml). Insoluble in water.

Solubility

95% ethanol: soluble1ml/2ml, clear, colorless

Refractive Index

n20/D 1.470-1.486<br />n20/D 1.478(lit.)

SMILES

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CC(C)C1=CC=C(C)CC1

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3

InChIKey

YHQGMYUVUMAZJR-UHFFFAOYSA-N

LogP

3.308900000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

171

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

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

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

Hazard Class

Class 3.2 Class 3.2

Storage Conditions

-20℃

Synonyms & References

English

α-terpinene
1,3-Cyclohexadiene, 1-methyl-4-isopropyl-
1,3-p-menthadiene
1-Isopropyl-4-methyl-cyclohexa-1,3-diene
1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene
1-methyl-4-(1-methylethyl)-3-cyclohexadiene
1-Methyl-4-isopropyl-1,3-cyclohexadiene
1-methyl-4-isopropyl-3-cyclohexadiene
1-Methyl-4-isopropylcyclohexadiene-1,3
alpha-Terpinene
1,3-Cyclohexadiene,1-methyl-4-(1-methylethyl)-
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
TERPINENE, a-(SG)
&alpha
1-Isopropyl-4-methyl-1,3-cyclohexadiene
1-methyl-4-propan-2-yl-cyclohexa-1,3-diene
FEMA No. 3558
p-Mentha-1,3-diene
Terpilene
α-Terpinene
Terpilene,alpha-Terpinene,α-Terpinen

MDL Number

MFCD00001534

Customs Code

3805909000

FAQ

What is 1-Isopropyl-4-methyl-1,3-cyclohexadiene (CAS: 99-86-5)?

1-Isopropyl-4-methyl-1,3-cyclohexadiene is a cyclic, unsaturated hydrocarbon with the molecular formula C10H16. It is a colorless liquid with a distinctive odor. This compound is used in various applications such as fragrance and flavoring agents and as a precursor in organic synthesis.

What are the main uses of 1-Isopropyl-4-methyl-1,3-cyclohexadiene (CAS: 99-86-5)?

1-Isopropyl-4-methyl-1,3-cyclohexadiene is primarily used in the fragrance and flavor industry as a component in perfumes and food additives. It is also utilized in the chemical industry as an intermediate for synthesizing other compounds. Its unique properties make it suitable for use in various industrial and research applications.

Is 1-Isopropyl-4-methyl-1,3-cyclohexadiene (CAS: 99-86-5) safe?

1-Isopropyl-4-methyl-1,3-cyclohexadiene is generally considered safe for its intended applications. However, it can cause skin and eye irritation. Proper safety measures should be taken, including wearing gloves and safety glasses. Storage and handling should follow standard chemical safety guidelines, and it should be stored in a well-ventilated area away from heat and sources of ignition. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should 1-Isopropyl-4-methyl-1,3-cyclohexadiene (CAS: 99-86-5) be stored?

1-Isopropyl-4-methyl-1,3-cyclohexadiene should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container made of appropriate materials to prevent leakage and contamination. The temperature should not exceed 25°C (77°F) to ensure stability and minimize degradation. Regularly check the container for any signs of damage or leakage, and store it in a well-ventilated area to prevent the risk of fire or explosion. Follow all safety and handling guidelines provided in the MSDS.