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2,2-Bis(hydroxymethyl)butyric acid Structure

2,2-Bis(hydroxymethyl)butyric acid

Chemical Properties

Melting point 109-112 °C (lit.)
Boiling point 360.0±32.0 °C(Predicted)
Density  1.263±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  acetone: 18 wt. % at 40 °C
pka 4.16±0.15(Predicted)
form  powder to crystal
color  White to Almost white
Water Solubility  487g/L at 20℃
InChI InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
InChIKey JVYDLYGCSIHCMR-UHFFFAOYSA-N
SMILES C(O)(=O)C(CO)(CO)CC
LogP -0.68 at 20℃
CAS DataBase Reference 10097-02-6(CAS DataBase Reference)
EPA Substance Registry System Butanoic acid, 2,2-bis(hydroxymethyl)- (10097-02-6)

Safety Information

Hazard Codes  Xi
Risk Statements  41-52/53
Safety Statements  26-39-61
WGK Germany  1
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29181990
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 3
Eye Dam. 1

MSDS

Usage And Synthesis

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