99-14-9

Name TRICARBALLYLIC ACID
CAS 99-14-9
EINECS(EC#) 202-733-3
Molecular Formula C6H8O6
MDL Number MFCD00002723
Molecular Weight 176.12
MOL File 99-14-9.mol
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Chemical Properties

Appearance off-white to light brown fine crystalline powder
Melting point  156-161 °C(lit.)
Boiling point  227.71°C (rough estimate)
density  1.3744 (rough estimate)
refractive index  1.5860 (estimate)
storage temp.  Store below +30°C.
solubility  H2O: 50 mg/mL, clear
form  Fine Crystalline Powder
pka pK1 (30°): 3.49; pK2: 4.58; pK3: 5.83
color  Off-white to light brown
Water Solubility  Soluble in water (500 mg/ml at 18°C), methanol, and ether (slightly).
Merck  14,9622
BRN  1783567
Cosmetics Ingredients Functions CHELATING
BUFFERING
InChI 1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey KQTIIICEAUMSDG-UHFFFAOYSA-N
SMILES OC(=O)CC(CC(O)=O)C(O)=O
LogP -1.420 (est)
CAS DataBase Reference 99-14-9(CAS DataBase Reference)
EPA Substance Registry System 1,2,3-Propanetricarboxylic acid (99-14-9)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
TSCA  Yes
HS Code  29171900
Storage Class 11 - Combustible Solids

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