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598-25-4

598-25-4 Structure

598-25-4 Structure
IdentificationMore
[Name]

3-METHYL-1,2-BUTADIENE
[CAS]

598-25-4
[Synonyms]

1,1-DIMETHYLALLENE
3,3-DIMETHYLALLENE
3-METHYL-1,2-BUTADIENE
1,1-Dimethylallylene
1,2-butadiene,3-methyl-
2-Methyl-2,3-butadiene
3-methyl-buta-1,2-diene
CH2=C=C(CH3)2
unsym-dimthylallene
3-METHYL-1,2-BUTADIENE 98%
unsym-Dimethylallene
[EINECS(EC#)]

209-926-1
[Molecular Formula]

C5H8
[MDL Number]

MFCD00008896
[Molecular Weight]

68.12
[MOL File]

598-25-4.mol
Chemical PropertiesBack Directory
[Melting point ]

-148 °C (lit.)
[Boiling point ]

40-41 °C (lit.)
[density ]

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

6.87 psi ( 20 °C)
[refractive index ]

n20/D 1.419(lit.)
[Fp ]

10 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in ether, benzene, acetone, ethanol.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Sensitive ]

Air Sensitive
[BRN ]

1697090
[InChI]

1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
[InChIKey]

PAKGDPSCXSUALC-UHFFFAOYSA-N
[SMILES]

CC(C)=C=C
[CAS DataBase Reference]

598-25-4(CAS DataBase Reference)
Safety DataBack Directory
[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 .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[F ]

10-23
[HS Code ]

2901.29.5000
[HazardClass ]

3
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-Methyl-1,2-butadiene (1,1-dimethylallene) has been used to study the photo-induced reaction of 1,1-dimethylallene with the cyanoarenes 1,2,4,5-tetracyanobenzene, 1,4-dicyanobenzene and 1,4-dicyanonaphthalene in the presence of methanol as nucleophile.
[Uses]

3-Methyl-1,2-butadiene has been used to study the photo-induced reaction of 1,1-dimethylallene with the cyanoarenes 1,2,4,5-tetracyanobenzene, 1,4-dicyanobenzene and 1,4-dicyanonaphthalene in the presence of methanol as nucleophile.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1,2-BUTADIENE(598-25-4)MS
3-METHYL-1,2-BUTADIENE(598-25-4)1HNMR
3-METHYL-1,2-BUTADIENE(598-25-4)13CNMR
3-METHYL-1,2-BUTADIENE(598-25-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methyl-1,2-butadiene, 98%(598-25-4)
[Sigma Aldrich]

598-25-4(sigmaaldrich)
[TCI AMERICA]

3-Methyl-1,2-butadiene,>97.0%(GC)(598-25-4)
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