2,5-Dimethyl-2,4-hexadiene Chemical Properties

Melting point:

12 °C

Boiling point:

132134°C

Density 

0.773 g/mL at 25 °C(lit.)

vapor density 

3.8 (vs air)

vapor pressure 

26.9 mm Hg ( 37.7 °C)

refractive index 

n20/D 1.476(lit.)

Flash point:

85 °F

storage temp. 

Flammables area

solubility 

Chloroform, Ethyl Acetate

form 

Oil

color 

Clear Colourless

BRN 

1733342

LogP

3.500

CAS DataBase Reference

764-13-6(CAS DataBase Reference)

NIST Chemistry Reference

2,4-Hexadiene, 2,5-dimethyl-(764-13-6)

EPA Substance Registry System

2,4-Hexadiene, 2,5-dimethyl- (764-13-6)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

10-36/37/38-20/21/22

Safety Statements 

16-26-36-36/37/39

RIDADR 

UN 3295 3/PG 3

WGK Germany 

3

Autoignition Temperature

559 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29012900

MSDS

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2,5-Dimethyl-2,4-hexadiene Usage And Synthesis

Chemical Properties

clear colourless liquid

Uses

2,5-Dimethyl-2,4-hexadiene may be used in the synthesis of (+)-trans-(1R,3R)-chrysanthemic acid methyl ester.

Uses

2,5-dimethyl-2,4-hexadiene is a volatile alkyl compound present in tobacco smoke. It is used as a potential biomarker in breath for prediction of lung cancer.

Definition

ChEBI: 2,5-Dimethyl-2,4-hexadiene is an alkadiene.

General Description

2,5-Dimethyl-2,4-hexadiene is an electron-rich alkene. It induces photodechlorination of 9,10-dichloroanthracene and its mechanism has been investigated. Asymmetric cyclopropanation of 2,5-dimethyl-2,4-hexadiene with tert-butyl diazoacetate catalyzed by the new copper-bisoxazoline complex has been reported. 2,5-Dimethyl-2,4-hexadiene has been investigated as a singlet oxygen acceptor in various solvents. Mechanism of addition reaction of aromatic and aliphatic thiols with 2,5-dimethyl-2,4-hexadiene has been investigated.

Purification Methods

Distil, then repeatedly fractionally crystallise it by partial freezing. Immediately before use, the diene is passed through a column containing Woelm silica gel (activity I) and Woelm alumina (neutral) in separate layers. [Beilstein 1 IV 1043.]

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