4-Methyl-2-oxovaleric acid Structure

4-Methyl-2-oxovaleric acid

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
FLAVIS Number 08.052 | 4-Methyl-2-oxovaleric acid
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)
Substances Added to Food (formerly EAFUS) 4-METHYL-2-OXOPENTANOIC ACID
FDA UNII 4GUJ8AH400
NIST Chemistry Reference 4-Methyl-2-oxovaleric acid(816-66-0)
EPA Substance Registry System .alpha.-Ketoisocaproic acid (816-66-0)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)
Signal wordDanger
Hazard statements H314
Precautionary statements P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Hazard Codes  C
Risk Statements  34
Safety Statements  26-36/37/39-45
RIDADR  UN 3265 8/PG 3
WGK Germany  3
F  3-9-13
TSCA  TSCA listed
HS Code  2918.30.9000
HazardClass  8
PackingGroup  III
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B
NFPA 704:
0
3 0

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4-Methyl-2-oxovaleric acid Spectrum