Butyl valerate Structure

Butyl valerate

Chemical Properties

Melting point -92.8°C
Boiling point 186-187 °C (lit.)
Density  0.868 g/mL at 25 °C (lit.)
FEMA  2217 | BUTYL VALERATE
refractive index  n20/D 1.412(lit.)
FLAVIS Number 09.148 | Butyl valerate
Flash point 152 °F
storage temp.  Sealed in dry,Room Temperature
form  clear liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. sweet fruity pineapple green raspberry tropical
Odor Type fruity
biological source synthetic
Water Solubility  83.87mg/L(25 ºC)
JECFA Number 160
Henry's Law Constant 9.8×10-3 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Major Application flavors and fragrances
InChI 1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKey OKJADYKTJJGKDX-UHFFFAOYSA-N
SMILES CCCCOC(=O)CCCC
LogP 3.32
Substances Added to Food (formerly EAFUS) BUTYL VALERATE
FDA 21 CFR 172.515
CAS DataBase Reference 591-68-4(CAS DataBase Reference)
FDA UNII F93Z6CCM06
EPA Substance Registry System Pentanoic acid, butyl ester (591-68-4)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P305+P351+P338
Hazard Codes  Xi
Risk Statements  10-36/37/38
Safety Statements  16-26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  2915600000
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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