ChemicalBook--->CAS DataBase List--->3522-94-9

3522-94-9

3522-94-9 Structure

3522-94-9 Structure
IdentificationMore
[Name]

2,2,5-TRIMETHYLHEXANE
[CAS]

3522-94-9
[Synonyms]

2,2,5-TRIMETHYLHEXANE
ISONONANE
2,2,5-trimethyl-hexan
neononane
2,2,5-TRIMETHYLHEXANE 99+%
Trimethylhexane, 2,2,5-
[EINECS(EC#)]

222-537-1
[Molecular Formula]

C9H20
[MDL Number]

MFCD00026525
[Molecular Weight]

128.26
[MOL File]

3522-94-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid.
[Melting point ]

-105.76°C
[Boiling point ]

122°C
[density ]

0,71 g/cm3
[vapor pressure ]

3.647 at 0.000 °C, 5.072 at 5.000 °C, 6.958 at 10.000 °C, 9.418 at 15.000 °C, 12.583 at 20.000 °C,16.625 at 25.000 °C, 21.719 at 30.000 °C (inclined-piston, Osborn and Douslin, 1974)
[refractive index ]

1.3990 to 1.4010
[Fp ]

13°C
[solubility ]

In methanol, g/L: 162 at 5 °C, 179 at 10 °C, 200 at 15 °C, 221 at 20 °C, 247 at 25 °C, 280 at 30 °C, 316 at 35 °C, 360 at 40 °C (Kiser et al., 1961); miscible with hexane and pentane.
[form ]

clear liquid
[pka]

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

Colorless to Almost colorless
[Odor Threshold]

0.9ppm
[Water Solubility ]

1.15mg/L(25 ºC)
[Henry's Law Constant]

3.45 at 25 °C (Mackay and Shiu, 1981)
[Exposure limits]

ACGIH TLV: TWA for all isomers 200 ppm (adopted).
[Uses]

Synthesis, motor-fuel additive.
[CAS DataBase Reference]

3522-94-9(CAS DataBase Reference)
[EPA Substance Registry System]

Hexane, 2,2,5-trimethyl- (3522-94-9)
Safety DataBack Directory
[Risk Statements ]

R11:Highly Flammable.
[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 .
[RIDADR ]

3295
[RTECS ]

MO4630000
[HS Code ]

2901.29.1050
[HazardClass ]

3
[PackingGroup ]

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

2,2,5-trimethylhexane(3522-94-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid.
[Physical properties]

Clear, colorless, flammable liquid with a faint aliphatic hydrocarbon odor. An odor threshold concentration of 900 ppbv was reported by Nagata and Takeuchi (1990).
[Hazard]

Flammable, dangerous fire risk; the 2,3,3-, 2,3,4-, and 3,3,4-isomers are less flammable.
[Environmental Fate]

Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 2,2,5-Trimethylhexane will not hydrolyze because it does not contain a hydrolyzable functional group.
[Solubility in water]

In methanol, g/L: 162 at 5 °C, 179 at 10 °C, 200 at 15 °C, 221 at 20 °C, 247 at 25 °C, 280 at 30 °C, 316 at 35 °C, 360 at 40 °C (Kiser et al., 1961); miscible with hexane and pentane.
Spectrum DetailBack Directory
[Spectrum Detail]

2,2,5-TRIMETHYLHEXANE(3522-94-9)MS
2,2,5-TRIMETHYLHEXANE(3522-94-9)1HNMR
2,2,5-TRIMETHYLHEXANE(3522-94-9)13CNMR
2,2,5-TRIMETHYLHEXANE(3522-94-9)IR1
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2,2,5-Trimethylhexane,>99.0%(GC)(3522-94-9)
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