Isoamyl formate
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Isoamyl formate
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CAS No:
110-45-2
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Formula:
C6H12O2
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Chemical Name:
Isoamyl formate
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Synonyms:
1-Butanol,3-methyl-,1-formate;Isopentyl alcohol,formate;1-Butanol,3-methyl-,formate;Isoamyl formate;Isoamyl methanoate;Isopentyl formate;3-Methylbutyl formate;NSC 6530
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CAS No:
Description
Liquid
Liquid|colourless liquid with a plum-like odour
Isoamyl formate is the formate ester of isoamylol. It derives from an isoamylol.
Characteristics
26.3
1.8
Liquid
0.8820 g/cm3 @ Temp: 20 °C
-93.5 °C
123.5 °C
86 °F
1.3976
3.5 mg/mL at 25 °C
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
10 mm Hg ( 17.1 °C)
Oral-Rat LD50: 9840 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
8%
Safety Information
III
3.2
UN 1109 3/PG 3
1
10-36/37
24-2
NT0185000
Xi
Treasury is ventilated, low temperature and dry; stored separately from oxidant
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, P501
H225
|Danger|H225 (97.33%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1647 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Isoamyl formate Use and Manufacturing
By isoamyl alcohol (or fusel oil) and sodium formate in the presence of concentrated sulfuric acid esterification and fractionation.
Artificial fruit syrups.
1-Butanol, 3-methyl-, 1-formate: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:116.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:59.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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