2,5-Dimethyl-2,4-hexadiene
2,5-Dimethyl-2,4-hexadiene
  • CAS No.:764-13-6
Other grades of this product :
2,5-Dimethyl-2,4-hexadiene Basic information
Product Name:2,5-Dimethyl-2,4-hexadiene
Synonyms:4-Hexadiene,2,5-dimethyl-2;Biisobutenyl;Biisocrotyl;DIISOCROTYL;2,5-Dimethylhexa-2,4-diene;2,5-DIMETHYL-2,4-HEXADIENE;TIMTEC-BB SBB008758;2,5-Dimethyl-2,4-hexadiene min.98%(GC)
CAS:764-13-6
MF:C8H14
MW:110.2
EINECS:212-115-5
Product Categories:Pharmaceuticals;Acyclic;Alkenes;Organic Building Blocks;Aliphatics;Intermediates & Fine Chemicals;Mutagenesis Research Chemicals
Mol File:764-13-6.mol
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.)
Fp 85 °F
storage temp. Flammables area
solubility Chloroform, Ethyl Acetate
form Oil
color Clear Colourless
BRN 1733342
CAS DataBase Reference764-13-6(CAS DataBase Reference)
NIST Chemistry Reference2,4-Hexadiene, 2,5-dimethyl-(764-13-6)
EPA Substance Registry System2,4-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 Temperature559 °F
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29012900
MSDS Information
ProviderLanguage
2,5-Dimethylhexa-2,4-diene English
SigmaAldrich English
ACROS English
ALFA English
2,5-Dimethyl-2,4-hexadiene Usage And Synthesis
Chemical Propertiesclear colourless liquid
Uses2,5-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.
Uses2,5-Dimethyl-2,4-hexadiene may be used in the synthesis of (+)-trans-(1R,3R)-chrysanthemic acid methyl ester.
General Description2,5-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 MethodsDistil, 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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