Hexyl formate
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Hexyl formate
structure -
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CAS No:
629-33-4
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Formula:
C7H14O2
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Chemical Name:
Hexyl formate
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Synonyms:
Formic acid,hexyl ester;Hexyl alcohol,formate;Hexyl formate;n-Hexyl formate;NSC 4780
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CAS No:
Description
Hexyl formate has a fruity, apple-like or unripe-plum odor; corresponding sweet taste. Colorless liquid
Liquid|colourless liquid with an ethereal, fruity, leafy, green odour
Hexyl formate is a carboxylic ester.
Hexyl formate Basic Attributes
130.18
130.18
1701629
211-087-1
9GPU7PGV1G
4780
DTXSID8060870
29151300
Characteristics
26.3
2.37560
Liquid
0.990 g/cm3 @ Temp: 20 °C
-62.6 °C
155.5 °C
118 °F
n20/D 1.407(lit.)
miscible with alcohol, ether; slightly soluble in water
Oral-Rat LD50: 5000 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
Safety Information
III
3
UN 3272 3/PG 3
2
10-36/37/38
16-26-36/37/39
LQ8595000
Xi
Treasury is ventilated, low temperature and dry; stored separately from oxidant
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1496 companies from 5 notifications to the ECHA C&L Inventory.
Hexyl formate Use and Manufacturing
It is directly esterified by heating and boiling n-hexanol and formic acid for a long time. It is obtained by azeotropic distillation of n-hexanol and isopropyl formate.
Used as an intermediate for vitamin B1
Formic acid, hexyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:130.18
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:61.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Hexyl formate
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