(5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene

Basic Information

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CAS Number

4221-98-1

Molecular Formula

C10H16

Molecular Weight

136.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

175°C

Refractive Index

n20/D 1.475

Specific Rotation

D20 -217°

SMILES

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CC1=CC[C@@H](C=C1)C(C)C

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

InChIKey

OGLDWXZKYODSOB-SNVBAGLBSA-N

LogP

3.1648000000000023

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

161

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 3 Class 3

Synonyms & References

English

1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5R)-
(-)-alpha-Phellandrene
(-)-5-Isopropyl-2-Methyl-1,3-Cyclohexadiene
(-)-P-MENTHA-1,5-DIENE
(R)-(?)-α-Phellandrene
PHELLANDRENE, R-(-)-alpha-(AS)
R-(-)-alpha-Phellandrene
(-)-&alpha
(-)-α-Phellandrene
(R)-(-)-alpha-Phellandrene
(R)-(-)-α-Phellandrene

MDL Number

MFCD00062988

Customs Code

2902199090

FAQ

What are the physical and chemical properties of (5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene (CAS: 4221-98-1)?

(5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene is a colorless liquid with a molecular weight of approximately 130.24 g/mol. It has a limited water solubility and good solubility in organic solvents. This compound is relatively stable but can undergo polymerization under certain conditions. It is important to handle it under controlled conditions to prevent unwanted reactions.

How is (5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene (CAS: 4221-98-1) typically synthesized?

(5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene is commonly synthesized via a Wittig reaction using isopropyl methylphosphonate and (Z)-2-methyl-1,3-cyclohexadiene. The process typically provides high yields and good selectivity. Proper handling of phosphorus compounds and organic solvents is essential during synthesis.

What industries use (5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene (CAS: 4221-98-1)?

(5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of various polymer materials. Additionally, this compound can be found in the sensor and semiconductor industries due to its unique chemical reactivity.

What precautions should be taken when handling (5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene (CAS: 4221-98-1)?

When handling (5R)-5-Isopropyl-2-methyl-1,3-cyclohexadiene, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood. In case of a spill, immediately clean up with appropriate materials and consult the safety data sheet (SDS) for further guidance. This compound should be stored in a cool, dry place away from direct sunlight and ignition sources.