76-09-5

Name Pinacol
CAS 76-09-5
EINECS(EC#) 200-933-5
Molecular Formula C6H14O2
MDL Number MFCD00004462
Molecular Weight 118.17
MOL File 76-09-5.mol

Chemical Properties

Appearance white solid
Melting point  40-43 °C (lit.)
Boiling point  171-172 °C/739 mmHg (lit.)
density  0.967 g/cm3 (20℃)
refractive index  1.4347 (estimate)
Fp  171 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  alcohol: freely soluble
form  Crystalline Low Melting Solid
pka 14.80±0.29(Predicted)
color  White
Odor at 100.00 %. woody earthy patchouli warm bread
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids.
Odor Type woody
Water Solubility  Soluble in hot water, alcohol, and diethyl ether.
Sensitive  Hygroscopic
Merck  14,7439
BRN  1340501
Henry's Law Constant 1.0×102 mol/(m3Pa) at 25℃, Wang et al. (2017)
Dielectric constant 7.4(24℃)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChIKey IVDFJHOHABJVEH-UHFFFAOYSA-N
SMILES CC(C)(O)C(C)(C)O
LogP 0.540
CAS DataBase Reference 76-09-5(CAS DataBase Reference)
NIST Chemistry Reference 2,3-Butanediol, 2,3-dimethyl-(76-09-5)
EPA Substance Registry System 76-09-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H320-H303-H319-H315
Precautionary statements  P280a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi,F
Risk Statements 
R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37:Wear suitable gloves .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  2
RTECS  EK1720000
F  3
TSCA  Yes
REACH Registrations Active
HS Code  29053990
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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