3,5-DIMETHYLBENZYL ALCOHOL Structure

3,5-DIMETHYLBENZYL ALCOHOL

Chemical Properties

Boiling point 218-221 °C (lit.)
Density  0.927 g/mL at 25 °C (lit.)
refractive index  n20/D 1.531(lit.)
Flash point 224 °F
storage temp.  Sealed in dry,Room Temperature
pka 14+-.0.10(Predicted)
Specific Gravity 0.927
Appearance Colorless to light yellow Liquid
BRN  2077285
Henry's Law Constant 1.3×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
InChIKey IQWWTJDRVBWBEL-UHFFFAOYSA-N
SMILES C1(CO)=CC(C)=CC(C)=C1
LogP 2.165 (est)
CAS DataBase Reference 27129-87-9(CAS DataBase Reference)
FDA UNII 7UXP4Z8EX9
UNSPSC Code 12352100

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P280-P305+P351+P338
Safety Statements  24/25
WGK Germany  3
HS Code  29062990
Storage Class 10 - Combustible liquids
NFPA 704:
1
0 0

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