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3-Methyl-1,3-butanediol Structure

3-Methyl-1,3-butanediol

Chemical Properties

Melting point 50.86°C (estimate)
Boiling point 203-205 °C(lit.)
Density  0.976 g/mL at 20 °C(lit.)
vapor pressure  2.8hPa at 24.85℃
refractive index  n20/D 1.442
Flash point 105 °C
storage temp.  Sealed in dry,Room Temperature
solubility  Completely miscible in water
form  clear liquid
pka 14.90±0.29(Predicted)
Specific Gravity 0.966
color  Colorless to Almost colorless
Water Solubility  1g/L at 20℃
BRN  1209241
Henry's Law Constant 4.0×102 mol/(m3Pa) at 25℃, Wang et al. (2017)
Cosmetics Ingredients Functions SOLVENT
Cosmetic Ingredient Review (CIR) 3-Methyl-1,3-butanediol (2568-33-4)
InChI 1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
InChIKey XPFCZYUVICHKDS-UHFFFAOYSA-N
SMILES CC(C)(O)CCO
LogP -0.56 at 20℃
CAS DataBase Reference 2568-33-4
EPA Substance Registry System 1,3-Butanediol, 3-methyl- (2568-33-4)

Safety Information

Safety Statements  23-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29053995
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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