2,2,4-TRIMETHYLHEXANE Structure

2,2,4-TRIMETHYLHEXANE

Chemical Properties

Melting point -120.15°C
Boiling point 125-127 °C(lit.)
Density  0.716 g/mL at 20 °C(lit.)
refractive index  n20/D 1.403
Flash point 13 °C
form  clear liquid
color  Colorless to Almost colorless
BRN  1718781
Henry's Law Constant 1.7×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
InChI 1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3
InChIKey AFTPEBDOGXRMNQ-UHFFFAOYSA-N
SMILES CCC(C)CC(C)(C)C
CAS DataBase Reference 16747-26-5(CAS DataBase Reference)
FDA UNII 68L13E286X
EPA Substance Registry System 2,2,4-Trimethylhexane (16747-26-5)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordDanger
Hazard statements H225
Precautionary statements P210
Hazard Codes  F
Risk Statements  11
Safety Statements  16
RIDADR  UN 3295 3/PG 2
WGK Germany  3
HS Code  2901.10.5000
HazardClass  3.1
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
NFPA 704:
3
0 0

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