ChemicalBook--->CAS DataBase List--->592-42-7

592-42-7

592-42-7 Structure

592-42-7 Structure
IdentificationMore
[Name]

1,5-HEXADIENE
[CAS]

592-42-7
[Synonyms]

1,5-HEXADIENE
BIALLYL
DIALLYL
alpha,OMEGA-Hexadiene
CH2=CHCH2CH2CH=CH2
Hexa-1,5-diene
Hexadiene
1,5-Hexadiene,(Biallyl
Biallyl~Diallyl
1,5-Hexadiene,98%
1,5-Hexadiene, tech., 80%
1,5-Hexadiene, 80%,tech.
1,5-Hexanediene
[EINECS(EC#)]

209-754-7
[Molecular Formula]

C6H10
[MDL Number]

MFCD00008666
[Molecular Weight]

82.14
[MOL File]

592-42-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

−141 °C(lit.)
[Boiling point ]

60 °C(lit.)
[density ]

0.692 g/mL at 25 °C(lit.)
[vapor pressure ]

367 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.404(lit.)
[Fp ]

−17 °F
[storage temp. ]

0-6°C
[solubility ]

169mg/l
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.692
[Odor]

Powerful, diffusive, sweet, somewhat gassy-green, but the not really unpleasant odour of very poor tenacity.
[explosive limit]

1.2-6.1%(V)
[Water Solubility ]

Soluble in water(0.17g/L).
[BRN ]

1731106
[Henry's Law Constant]

6.8×10-5 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
[InChI]

1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
[InChIKey]

PYGSKMBEVAICCR-UHFFFAOYSA-N
[SMILES]

C=CCCC=C
[LogP]

302
[CAS DataBase Reference]

592-42-7(CAS DataBase Reference)
[EPA Substance Registry System]

1,5-Hexadiene (592-42-7)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H319-H335
[Precautionary statements ]

P210-P305+P351+P338
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 2458 3/PG 2
[WGK Germany ]

3
[RTECS ]

MM1997800
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Allyl chloride-->1-Hexanol, 6-chloro-, 4-methylbenzenesulfonate-->Benzenemethanol, 4-(1,1-dimethylethyl)-α-ethenyl--->1-(4-chlorophenyl)-N-phenyl-methanimine-->N-(ALPHA-ALLYLBENZYL)ANILINE-->Bicyclo[2.2.0]hexane-->3-METHYL-1,5-HEXADIENE
[Preparation Products]

2,5-Hexanedione-->4,5-Dimethyl-2,6-octadiene.-->5-METHYL-1-HEPTENE-->octanedial-->2-METHYLHEX-5-ENAL-->8-Methyl-3,7-nonadien-2-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,5-hexadiene(592-42-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

1,5-Hexadiene is used to study the Pd(II)-catalyzed cycloisomerization of functionalized 1,5-hexadienes.
[Application]

1,5-Hexadiene plays an important role in organic synthesis. Since it contains two double bonds in its molecule, it can participate in a variety of addition reactions, polymerization reactions, etc., making it possible to synthesize complex organic molecules. For example, it can be used as a biaxial chain growth reagent for the synthesis of polymer materials such as polyolefins and polystyrene, contributing to the development of materials science.
[Definition]

Although not a fragrance material, this hydrocarbon may occasionally be used as part of industrial masking odours, and it may also appear as an impurity in various perfume chemicals.
[Production Methods]

1,5-Hexadiene is produced from Allylbromide and Sodium (or Magnesium).
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Distil 1,5-hexadiene from NaBH4. [Beilstein 1 IV 1013.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for 1,5-hexadiene is 264 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

1,5-HEXADIENE(592-42-7)MS
1,5-HEXADIENE(592-42-7)1HNMR
1,5-HEXADIENE(592-42-7)13CNMR
1,5-HEXADIENE(592-42-7)IR1
1,5-HEXADIENE(592-42-7)IR2
1,5-HEXADIENE(592-42-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,5-Hexadiene, 98%(592-42-7)
[Alfa Aesar]

1,5-Hexadiene, 98%(592-42-7)
[Sigma Aldrich]

592-42-7(sigmaaldrich)
[TCI AMERICA]

1,5-Hexadiene,>97.0%(GC)(592-42-7)
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