ChemicalBook--->CAS DataBase List--->583-48-2

583-48-2

583-48-2 Structure

583-48-2 Structure
IdentificationMore
[Name]

3,4-DIMETHYLHEXANE
[CAS]

583-48-2
[Synonyms]

3,4-DIMETHYLHEXANE
3,4-dimethyl-hexan
C2H5CH(CH3)CH(CH3)C2H5
3,4-DIMETHYLHEXANE, STANDARD FOR GC
Hexane, 3,4-dimethyl-
[EINECS(EC#)]

209-504-7
[Molecular Formula]

C8H18
[MDL Number]

MFCD00039927
[Molecular Weight]

114.23
[MOL File]

583-48-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-91.46°C (estimate)
[Boiling point ]

119 °C (lit.)
[density ]

0.72 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.403(lit.)
[Fp ]

44 °F
[form ]

neat
[color ]

Colorless to Almost colorless
[Water Solubility ]

799.4ug/L(temperature not stated)
[BRN ]

1718744
[Exposure limits]

ACGIH: TWA 300 ppm
[InChI]

1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3
[InChIKey]

RNTWWGNZUXGTAX-UHFFFAOYSA-N
[SMILES]

CCC(C)C(C)CC
[LogP]

4.471 (est)
[CAS DataBase Reference]

583-48-2(CAS DataBase Reference)
[EPA Substance Registry System]

3,4-Dimethylhexane (583-48-2)
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly 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 .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 1262 3/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2901.10.5000
[HazardClass ]

3.1
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3,4-Dimethylhexane may be used to study the mechanism of addition of hydrogen to 1-butene.
[Uses]

3,4-Dimethylhexane may be used to study the mechanism of addition of hydrogen to 1-butene.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIMETHYLHEXANE(583-48-2)MS
3,4-DIMETHYLHEXANE(583-48-2)1HNMR
3,4-DIMETHYLHEXANE(583-48-2)13CNMR
3,4-DIMETHYLHEXANE(583-48-2)IR1
3,4-DIMETHYLHEXANE(583-48-2)Raman
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