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110-45-2

Name Isopentyl formate
CAS 110-45-2
EINECS(EC#) 252-343-2
Molecular Formula C6H12O2
MDL Number MFCD00021049
Molecular Weight 116.16
MOL File 110-45-2.mol

Chemical Properties

Appearance Colorless liquid; fruity odor.Partially soluble in water; soluble in alcohol and ether. Combustible.
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
refractive index  n20/D 1.397(lit.)
Fp  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
explosive limit 8%
Odor Type green
JECFA Number 42
Merck  5119
BRN  1739893
InChIKey XKYICAQFSCFURC-UHFFFAOYSA-N
LogP 1.72
Uses
Isoamyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of pungent pear-plum odor, being soluble in most fixed oils, mineral oil, and propylene glycol. Storage should be in a glass or tin container. It is used in fruit flavors such as pear, plum, and peach for application in dessert gels, puddings, candy, and ice cream at 14–28 ppm.
CAS DataBase Reference 110-45-2(CAS DataBase Reference)
NIST Chemistry Reference 1-Butanol, 3-methyl-, formate(110-45-2)
EPA Substance Registry System 110-45-2(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R36/37:Irritating to eyes and respiratory system .
Safety Statements 
S24:Avoid contact with skin .
S2:Keep out of the reach of children .
RIDADR  UN 1109 3/PG 3
WGK Germany  1
RTECS  NT0185000
HazardClass  3.2
PackingGroup  III
HS Code  29151300
Toxicity
LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)

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