10097-02-6

Name 2,2-Bis(hydroxymethyl)butyric acid
CAS 10097-02-6
EINECS(EC#) 424-091-0
Molecular Formula C6H12O4
MDL Number MFCD00190088
Molecular Weight 148.16
MOL File 10097-02-6.mol
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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
form  powder to crystal
pka 4.16±0.15(Predicted)
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 10097-02-6(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H318-H412
Precautionary statements  P273-P280-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R41:Risk of serious damage to eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
WGK Germany  1
Hazard Note  Irritant
TSCA  TSCA listed
REACH Registrations Active
HS Code  29181990
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 3
Eye Dam. 1

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