2-Methyl-2-hexanol Structure

2-Methyl-2-hexanol

Chemical Properties

Melting point -30.45°C (estimate)
Boiling point 141-142 °C (lit.)
Density  0.812 g/mL at 25 °C (lit.)
refractive index  n20/D 1.417(lit.)
Flash point 105 °F
storage temp.  Flammables area
pka 15.38±0.29(Predicted)
form  clear liquid
color  Colorless to Light yellow
Water Solubility  9.61g/L(25 ºC)
Henry's Law Constant 9.1×10-2 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI 1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3
InChIKey KRIMXCDMVRMCTC-UHFFFAOYSA-N
SMILES CCCCC(C)(C)O
LogP 2.113 (est)
CAS DataBase Reference 625-23-0(CAS DataBase Reference)
FDA UNII F7VY9G4LKD
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P233-P240-P241-P242-P243
Risk Statements  10
Safety Statements  16
RIDADR  UN 1987 3/PG 3
WGK Germany  3
HazardClass  3.2
PackingGroup  III
HS Code  2905190098
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
0 0

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