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563-45-1

563-45-1 Structure

563-45-1 Structure
IdentificationMore
[Name]

3-Methyl-1-butene
[CAS]

563-45-1
[Synonyms]

3-METHYL-1-BUTENE
3-METHYLBUTENE-1
ISOAMYLENE
ISOPENTENE
ISOPROPYLETHYLENE
(CH3)2CHCH=CH2
2-Methyl-3-butene
3-methyl-1-buten
3-methyl-but-1-ene
3-methylbutene-1(95%min.)
alpha-Isoamylene
Vinylisopropyl
3-Methylbutene
3-Methylbutene-1 95%
Methylbutene,95%
Methylbutenemin
3-METHYL-1-BUTENE, STANDARD FOR GC, VIAL WITH 10 ML
3-METHYL-1-BUTENE, PRESSURE TIN
ALPHA-ISOPENTENE
3-METHYL-1-BUTENE (IN CYLINDER WITHOUT VALVE) 95+%
[EINECS(EC#)]

209-249-1
[Molecular Formula]

C5H10
[MDL Number]

MFCD00008937
[Molecular Weight]

70.13
[MOL File]

563-45-1.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless, extremely volatile liquid or gas; disagreeable odor.Soluble in alcohol; insoluble in water.
[Melting point ]

-168 °C
[Boiling point ]

20 °C(lit.)
[density ]

0.627 g/mL at 20 °C(lit.)
[vapor pressure ]

14.97 psi ( 20 °C)
[refractive index ]

n20/D 1.364
[Fp ]

-57 °C
[storage temp. ]

−20°C
[solubility ]

Soluble in alcohol, benzene, and ether (Weast, 1986)
[form ]

neat
[pka]

>14 (Schwarzenbach et al., 1993)
[Water Solubility ]

130 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
[BRN ]

505980
[Henry's Law Constant]

(atm?m3/mol): 0.535 at 25 °C (Hine and Mookerjee, 1975)
[Uses]

Organic synthesis, high-octane fuel manufacture.
[CAS DataBase Reference]

563-45-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butene, 3-methyl-(563-45-1)
[EPA Substance Registry System]

563-45-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F+,Xn
[Risk Statements ]

R12:Extremely 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 .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 2561 3/PG 1
[WGK Germany ]

3
[F ]

4.5-31
[HazardClass ]

3.1
[PackingGroup ]

I
[Safety Profile]

Very dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use alcohol foam, mist, spray, dry chemical, CO2. When heated to decomposition it emits acrid smoke and irritating fumes. See also 2-METHYL-1 BUTENE.
[Hazardous Substances Data]

563-45-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Triadimefon-->Pinacolone-->2-Methyl-2-butanol-->methyl(±)cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate)-->Isoprene-->2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLIC ACID-->3-Methyl-2-buten-1-ol-->1-Chloro-3-methyl-2-butene-->2-Methyl-2-butene-->ethyl 3,3-dimethylpent-4-en-1-oate-->4-Methylvaleric acid-->Isopentyl ether-->tert-Amylbenzene
Hazard InformationBack Directory
[General Description]

A colorless volatile liquid with a disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point below 0°F. Used to make other chemicals.
[Reactivity Profile]

3-METHYL-1-BUTENE(563-45-1) may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Hazard]

Highly flammable, dangerous fire and explosion risk, explosive limits 1.6–9.1%.
[Health Hazard]

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Chemical Properties]

Colorless, extremely volatile liquid or gas; disagreeable odor.Soluble in alcohol; insoluble in water.
[Physical properties]

Colorless, flammable liquid or gas with a disagreeable odor
[Definition]

ChEBI: An alkene that is but-1-ene carrying a methyl substituent at position 3.
[Source]

Schauer et al. (1999) reported 3-methyl-1-butene in a diesel-powered medium-duty truck exhaust at an emission rate of 160 μg/km.
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of 3-methyl-1-butene was 6.9 mg/kg of pine burned. Emission rates of 3-methyl-1-butene were not measured during the combustion of oak and eucalyptus.
California Phase II reformulated gasoline contained 3-methyl-1-butene at a concentration of 380 mg/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.35 and 22.5 mg/km, respectively (Schauer et al., 2002).
[Environmental Fate]

Photolytic. The following rate constants were reported for the reaction of 3-methyl-1-butene and OH radicals in the atmosphere: 3.0 x 10-11 cm3/molecule?sec (Atkinson et al., 1979); 6.07 to 9.01 x 10-11 cm3/molecule?sec (Atkinson, 1985); 3.18 x 10-11 cm3/molecule?sec (Atkinson, 1990).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-methyl-1-butene(563-45-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-1-butene(563-45-1)1HNMR
3-Methyl-1-butene(563-45-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

563-45-1(sigmaaldrich)
[TCI AMERICA]

3-Methyl-1-butene  (in cylinder without valve) [To use this product charged in cylinder, a valve is required which is sold separately (Product Code:V0030)],>95.0%(GC)(563-45-1)
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