ChemicalBook--->CAS DataBase List--->558-37-2

558-37-2

558-37-2 Structure

558-37-2 Structure
IdentificationMore
[Name]

3,3-Dimethyl-1-butene
[CAS]

558-37-2
[Synonyms]

3,3-DIMETHYL-1-BUTENE
3,3-DIMETHYL-1-BUTYLENE
3,3-DIMETHYLBUT-1-ENE
3,3-DIMETHYLBUTENE-1
NEOHEXENE
TERT-BUTYLETHYLENE
(CH3)3CCH=CH2
2,2-Dimethyl-3-Butene
3,3-dimethyl-1-buten
3,3-Dimethylbutene
tert-Butylethene
tert-Hexene
Trimethylvinylmethane
tert-Butylethylene~Neohexene
3,3-Dimethyl-1-butenee(neotene)
3,3-DIMETHYL-1-BUTENE, STANDARD FOR GC
1-Butene, 3,3-dimethyl-
3,3-Dimethy-1-butene
3,3-DIMETHYL-1-BUTENE 95+%
3,3-Dimethyl-1-butene, 95%, stab. with 50-100ppm BHT
[EINECS(EC#)]

209-195-9
[Molecular Formula]

C6H12
[MDL Number]

MFCD00008853
[Molecular Weight]

84.16
[MOL File]

558-37-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-115 °C (lit.)
[Boiling point ]

41 °C (lit.)
[density ]

0.653 g/mL at 25 °C(lit.)
[vapor density ]

>1 (vs air)
[vapor pressure ]

6.96 psi ( 20 °C)
[refractive index ]

n20/D 1.376(lit.)
[Fp ]

−20 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless
[explosive limit]

1.2%(V)
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

1697101
[InChI]

1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
[InChIKey]

PKXHXOTZMFCXSH-UHFFFAOYSA-N
[SMILES]

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

558-37-2(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butene, 3,3-dimethyl-(558-37-2)
[EPA Substance Registry System]

558-37-2(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

In a 250 mL four-necked flask equipped with a mechanical stirrer, thermometer, and distillation column, 115 mL of N-methylpyrrolidone was added. The temperature was raised to 80 °C, and NaOH was added while stirring. Then, neohexane chloride was slowly added dropwise. The temperature was raised to 140–180 °C, and the fraction before 60 °C was collected. The organic phase was separated, and the fraction before 50 °C was redistilled, yielding 82.2% and 99% purity of 3,3-dimethyl-1-butene. The solvent was recovered five times after filtration, and the reaction yield remained above 70%. Boiling point: 30–50 °C.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H304
[Precautionary statements ]

P210-P233-P240-P241-P301+P310-P331
[Hazard Codes ]

F,Xn,Xi
[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 .
S33:Take precautionary measures against static discharges .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[RTECS ]

BS8000000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012980
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Flam. Liq. 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Neohexene(558-37-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

3,3-Dimethyl-1-butene is a useful reagent for organic synthesis.
[General Description]

3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethyl-1-butene(558-37-2)MS
3,3-Dimethyl-1-butene(558-37-2)1HNMR
3,3-Dimethyl-1-butene(558-37-2)13CNMR
3,3-Dimethyl-1-butene(558-37-2)IR1
3,3-Dimethyl-1-butene(558-37-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,3-Dimethyl-1-butene, 95%(558-37-2)
[Alfa Aesar]

3,3-Dimethyl-1-butene, 95%(558-37-2)
[Sigma Aldrich]

558-37-2(sigmaaldrich)
[TCI AMERICA]

3,3-Dimethyl-1-butene,>96.0%(GC)(558-37-2)
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