Isobutyl formate Structure

Isobutyl formate

Chemical Properties

Melting point -96 °C
Boiling point 98.4 °C (lit.)
Density  0.885 g/mL at 25 °C (lit.)
vapor density  3.52 (vs air)
refractive index  n20/D 1.385(lit.)
FEMA  2197 | ISOBUTYL FORMATE
FLAVIS Number 09.164 | Isobutyl formate
Flash point 50 °F
storage temp.  Flammables area
Water Solubility  Soluble in water
form  clear liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. sweet chemical ether fruity
Odor Type chemical
explosive limit 8.9%
Odor Threshold 0.49ppm
biological source synthetic
JECFA Number 124
Merck  14,5143
Henry's Law Constant 1.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 6.5(19℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChIKey AVMSWPWPYJVYKY-UHFFFAOYSA-N
SMILES CC(C)COC=O
LogP 1.23
CAS DataBase Reference 542-55-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOBUTYL FORMATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 6OCL1KXH0Q
EPA Substance Registry System Formic acid, 2-methylpropyl ester (542-55-2)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H303-H319-H335-H225
Precautionary statements P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F,C,Xi
Risk Statements  11-34-36/37
Safety Statements  16-26-33-36/37/39-45-24-9
RIDADR  UN 2393
WGK Germany  2
RTECS  LQ8650000
Autoignition Temperature 608 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29151300
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
NFPA 704:
3
0 0

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