ChemicalBook--->CAS DataBase List--->589-34-4

589-34-4

589-34-4 Structure

589-34-4 Structure
IdentificationMore
[Name]

3-METHYLHEXANE
[CAS]

589-34-4
[Synonyms]

1-ETHYL-1-PROPYLETHANE
3-METHYLHEXANE
ETHYLMETHYLPROPYLMETHANE
2-Ethylpentane
3-methyl-hexan
3-Methylhexane(undefinedopticalisomer)
hexane,3-methyl-
Methylhexane,95%
METHYLHEXANES
3-METHYLHEXANE 98+%
[EINECS(EC#)]

209-643-3
[Molecular Formula]

C7H16
[MDL Number]

MFCD00009408
[Molecular Weight]

100.2
[MOL File]

589-34-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

−119 °C(lit.)
[Boiling point ]

91 °C(lit.)
[density ]

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

2.13 psi ( 37.7 °C)
[refractive index ]

n20/D 1.388(lit.)
[Fp ]

25 °F
[solubility ]

Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[explosive limit]

~7%
[Odor Threshold]

0.84ppm
[Water Solubility ]

2.64mg/L(25 ºC)
[BRN ]

1718739
[Henry's Law Constant]

2.38 at 25 °C (Mackay and Shiu, 1981)
[Dielectric constant]

1.9299999999999999
[LogP]

4.118 (est)
[Uses]

Organic synthesis, oil extender solvent.
[CAS DataBase Reference]

589-34-4(CAS DataBase Reference)
[EPA Substance Registry System]

3-Methylhexane (589-34-4)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 1206 3/PG 2
[WGK Germany ]

1
[Autoignition Temperature]

536 °F
[HS Code ]

2901.10.5000
[HazardClass ]

3.1
[PackingGroup ]

II
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-methyl hexane(598-34-4).msds
Hazard InformationBack Directory
[Hazard]

Flammable, dangerous fire risk.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Physical properties]

Clear, colorless liquid with an odor similar to hexane. An odor threshold concentration of 840 ppbv was reported by Nagata and Takeuchi (1990).
[Definition]

ChEBI: 3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is an alkane and a volatile organic compound.
[Source]

Schauer et al. (1999) reported 3-methylhexane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 3-methylhexane at a concentration of 16.2 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.95 and 415 mg/km, respectively (Schauer et al., 2002).
[Environmental Fate]

Photolytic. Based on a reported photooxidation reaction rate constant of 7.20 x 10-12 cm3/molecule?sec with OH radicals, the half-life of 3-methylhexane is 20 h (Altshuller, 1990).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3- Methylhexane will not hydrolyze because it does not contain a hydrolyzable functional group.
[Purification Methods]

Purify it as for 2-methylhexene. [Beilstein 1 IV 399.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLHEXANE(589-34-4)MS
3-METHYLHEXANE(589-34-4)1HNMR
3-METHYLHEXANE(589-34-4)13CNMR
3-METHYLHEXANE(589-34-4)IR1
3-METHYLHEXANE(589-34-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

589-34-4(sigmaaldrich)
[TCI AMERICA]

3-Methylhexane,>95.0%(GC)(589-34-4)
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