Isobutyl propionate Structure

Isobutyl propionate

Chemical Properties

Melting point −71 °C(lit.)
Boiling point 66.5 °C
Density  0.869 g/mL at 25 °C(lit.)
FEMA  2212 | ISOBUTYL PROPIONATE
refractive index  n20/D 1.397(lit.)
FLAVIS Number 09.125 | Isobutyl propionate
Flash point 80 °F
storage temp.  Flammables area
solubility  1.7g/l
form  Liquid
color  Colorless
Odor at 100.00 %. fruity green ether sweet tutti frutti banana
Odor Type fruity
Odor Threshold 0.02ppm
explosive limit 1.1-7.5%(V)
biological source synthetic
JECFA Number 148
Merck  14,5150
Henry's Law Constant 1.5×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey FZXRXKLUIMKDEL-UHFFFAOYSA-N
SMILES CCC(=O)OCC(C)C
LogP 2.26
CAS DataBase Reference 540-42-1(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOBUTYL PROPIONATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 8Q382JSY9T
NIST Chemistry Reference Propanoic acid, 2-methylpropyl ester(540-42-1)
EPA Substance Registry System Propanoic acid, 2-methylpropyl ester (540-42-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H226
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Risk Statements  10
Safety Statements  16
RIDADR  UN 2394
WGK Germany  2
RTECS  UF4930000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
0 0

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