3-Methyl-2-oxovaleric acid Structure

3-Methyl-2-oxovaleric acid

Chemical Properties

Melting point 42°C
Boiling point 84 °C / 18mmHg
Density  1.087±0.06 g/cm3(Predicted)
FEMA  3870 | 3-METHYL-2-OXOPENTANOIC ACID
storage temp.  Refrigerator
solubility  DMSO : 130 mg/mL (998.92 mM)
form  powder to crystal
pka 2.65±0.54(Predicted)
color  White to Light yellow
JECFA Number 632
InChI 1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-N
SMILES CC(C(C(O)=O)=O)CC
LogP 0.17
CAS DataBase Reference 1460-34-0(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-METHYL-2-OXOPENTANOIC ACID
FDA UNII 787T50HCIV
UNSPSC Code 12352106
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38-36
Safety Statements  26-36/37/39-36
WGK Germany  WGK 3
HS Code  2918300090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
NFPA 704:
0
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