816-66-0

Name 4-Methyl-2-oxovaleric acid
CAS 816-66-0
EINECS(EC#) 212-435-5
Molecular Formula C6H10O3
MDL Number MFCD00066204
Molecular Weight 130.14
MOL File 816-66-0.mol
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Chemical Properties

Melting point  8-10 °C
Boiling point  82-83 °C11 mm Hg(lit.)
density  1.055 g/mL at 20 °C(lit.)
FEMA  3871 | 4-METHYL-2-OXOPENTANOIC ACID
refractive index  n20/D 1.431
storage temp.  2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
form  clear liquid
pka 2.65±0.54(Predicted)
color  Colorless to Yellow
Odor fruity
Odor Type fruity
Water Solubility  Soluble in water.
JECFA Number 633
BRN  1701823
InChI 1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-N
SMILES CC(C)CC(=O)C(O)=O
LogP 0.17
CAS DataBase Reference 816-66-0(CAS DataBase Reference)
NIST Chemistry Reference 4-Methyl-2-oxovaleric acid(816-66-0)
EPA Substance Registry System 816-66-0(EPA Substance)
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Safety Data

Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3265 8/PG 3
WGK Germany  3
F  3-9-13
TSCA  Yes
HS Code  2918.30.9000
HazardClass  8
PackingGroup  III
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B

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