Isopentyl formate Structure

Isopentyl formate

Chemical Properties

Melting point -93°C
Boiling point 123-124 °C (lit.)
Density  0.859 g/mL at 25 °C (lit.)
vapor pressure  10 mm Hg ( 17.1 °C)
FEMA  2069 | ISOAMYL FORMATE
refractive index  n20/D 1.397(lit.)
FLAVIS Number 09.162 | 3-Methylbutyl formate
Flash point 86 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green
Odor Type green
explosive limit 8%
biological source synthetic
JECFA Number 42
Merck  14,5119
BRN  1739893
Henry's Law Constant 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChIKey XKYICAQFSCFURC-UHFFFAOYSA-N
SMILES [H]C(=O)OCCC(C)C
LogP 1.72
CAS DataBase Reference 110-45-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOAMYL FORMATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 50L53EN043
NIST Chemistry Reference 1-Butanol, 3-methyl-, formate(110-45-2)
EPA Substance Registry System 1-Butanol, 3-methyl-, formate (110-45-2)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H315-H319-H335-H225
Precautionary statements P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  Xi
Risk Statements  10-36/37
Safety Statements  24-2
RIDADR  UN 1109 (AMYL FORMATES)
WGK Germany  1
RTECS  NT0185000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29151300
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Toxicity LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)
NFPA 704:
3
1 0

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Isopentyl formate Chemical Properties,Usage,Production

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