Basic information Safety Related Supplier
Isovaleric acid Structure

Isovaleric acid

Chemical Properties

Melting point −29 °C (−20 °F; 244 K)
Boiling point 176.5 °C (349.7 °F; 449.6 K)
Density  0.925 g/cm3
vapor pressure  0.38 mm Hg ( 20 °C)
FEMA  3102 | ISOVALERIC ACID
refractive index  1.40
Flash point 80 °C (176 °F; 353 K)
storage temp.  Store below +30°C.
solubility  48g/l
pka 4.77(at 25℃)
form  clear liquid
color  Colorless
Specific Gravity 0.928 (20/20℃)
PH 3.92(1 mM solution);3.4(10 mM solution);2.89(100 mM solution);
Odor at 1.00 % in propylene glycol. sour stinky feet sweaty cheese tropical
Odor Type cheesy
biological source synthetic
explosive limit 1.5-6.8%(V)
Water Solubility  25 g/L (20 ºC)
Merck  14,5231
JECFA Number 259
BRN  1098522
Henry's Law Constant 2.7×101 mol/(m3Pa) at 25℃, Kim and Kim (2016)
Dielectric constant 2.6(20℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey GWYFCOCPABKNJV-UHFFFAOYSA-N
SMILES CC(C)CC(O)=O
LogP 1.7 at 25℃
CAS DataBase Reference 503-74-2(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-methyl-(503-74-2)
EPA Substance Registry System Isovaleric acid (503-74-2)

Safety Information

Hazard Codes  C,T
Risk Statements  34-24-22
Safety Statements  26-36/37/39-45-38-28A
RIDADR  UN 3265 8/PG 2
WGK Germany  1
RTECS  NY1400000
F  13
Autoignition Temperature 824 °F
TSCA  TSCA listed
HS Code  2915 60 90
HazardClass  6.1
PackingGroup  III
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Skin Corr. 1B
Hazardous Substances Data 503-74-2(Hazardous Substances Data)
Toxicity LD50 i.v. in mice: 1120±30 mg/kg (Or, Wretlind)

MSDS

Usage And Synthesis

Isovaleric acid Supplier

Isovaleric acid manufacturers