3-Methyl-1-butene

CAS NO.：563-45-1
Empirical Formula: C5H10
Molecular Weight: 70.13
MDL number: MFCD00008937
EINECS: 209-249-1
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is 3-Methyl-1-butene?

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

The Uses of 3-Methyl-1-butene

3-Methyl-1-butene has been used in asymmetric total synthesis of (?)-Linderol A, a potent inhibitor of melanin biosynthesis of cultured B-16 melanoma cells.

The Uses of 3-Methyl-1-butene

Organic synthesis, high-octane fuel manufacture.

Definition

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

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.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

3-Methyl-1-butene 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.

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.

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.

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.

Properties of 3-Methyl-1-butene

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
Flash point:	-57 °C
storage temp.	−20°C
solubility	Soluble in alcohol, benzene, and ether (Weast, 1986)
form	neat
pka	>14 (Schwarzenbach et al., 1993)
color	Colorless to Almost colorless
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)
CAS DataBase Reference	563-45-1(CAS DataBase Reference)
NIST Chemistry Reference	1-Butene, 3-methyl-(563-45-1)
EPA Substance Registry System	3-Methyl-1-butene (563-45-1)

Safety information for 3-Methyl-1-butene

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09
GHS Hazard Statements	H224:Flammable liquids H304:Aspiration hazard H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P403+P233:Store in a well-ventilated place. Keep container tightly closed.