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ChemicalBook--->CAS DataBase List--->562-49-2

562-49-2

562-49-2 Structure

562-49-2 Structure
IdentificationBack Directory
[Name]

3,3-Dimethylpentane
[CAS]

562-49-2
[Synonyms]

(C2H5)2C(CH3)2
3,3-dimethyl-pentan
3,3-DIMETHYLPENTANE
pentane,3,3-dimethyl-
DIETHYLDIMETHYLMETHANE
2-Ethyl-2-methylbutane
3,3-Dimethylpentane,99%
3,3-DiMethylpentane, 99% 5GR
[EINECS(EC#)]

209-230-8
[Molecular Formula]

C7H16
[MDL Number]

MFCD00009322
[MOL File]

562-49-2.mol
[Molecular Weight]

100.2
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-135 °C
[Boiling point ]

86 °C(lit.)
[density ]

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

2.77 psi ( 37.7 °C)
[refractive index ]

n20/D 1.392(lit.)
[Fp ]

20 °F
[storage temp. ]

Flammables area
[solubility ]

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

Liquid
[pka]

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

Clear colorless
[explosive limit]

~7%
[Water Solubility ]

Soluble in acetone, water, chloroform, alcohol & ether. In water ( 5.92 mg/kg ) dissolves at 25°C.
[BRN ]

1696854
[Henry's Law Constant]

1.85(atm?m3/mol) at 25 °C (Mackay and Shiu, 1981)
[Dielectric constant]

1.9399999999999999
[Exposure limits]

ACGIH: TWA 400 ppm; STEL 500 ppm
[EPA Substance Registry System]

Pentane, 3,3-dimethyl- (562-49-2)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Physical properties]

Colorless, mobile liquid with an odor resembling heptane or gasoline. Evaporates when spilled forming combustible vapors.
[Uses]

3,3-Dimethylpentane Is used in organic synthesis & as gasoline component, as Pharmaceutical intermediates. It was used in the development and evaluation of the epiocular-eye irritation test.
[General Description]

3,3-Dimethylpentane isomerizes via a methyl shift mechanism on oxygen-exposed tungsten carbides.
[Environmental Fate]

Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. 3,3- Dimethylbutane will not hydrolyze because it has no hydrolyzable functional group.
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

11-38-50/53-65-67
[Safety Statements ]

9-16-29-33-60-61-62
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

2
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29011000
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethylpentane(562-49-2)MS
3,3-Dimethylpentane(562-49-2)1HNMR
3,3-Dimethylpentane(562-49-2)13CNMR
3,3-Dimethylpentane(562-49-2)IR1
3,3-Dimethylpentane(562-49-2)Raman
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