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4-Methyl-2-oxovaleric acid Structure

4-Methyl-2-oxovaleric acid

  • Product Name4-Methyl-2-oxovaleric acid
  • CAS816-66-0
  • CBNumberCB5157543
  • MFC6H10O3
  • MW130.14
  • EINECS212-435-5
  • MDL NumberMFCD00066204
  • MOL File816-66-0.mol

Chemical Properties

Melting point: 8 to 10 °C (46 to 50 °F; 281 to 283 K)
Boiling point: 85 °C (185 °F; 358 K) at 13 mmHg
Density  1.055 g cm−3 (at 20 °C)
FEMA  3871 | 4-METHYL-2-OXOPENTANOIC ACID
refractive index  1.43
Flash point: 83 °C
storage temp.  2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
pka 2.65±0.54(Predicted)
form  clear liquid
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 .alpha.-Ketoisocaproic acid (816-66-0)

Safety

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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  2918300090
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