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Hexyl formate

Hexyl formate structure

Hexyl formate 

structure
  • CAS No:

    629-33-4

  • Formula:

    C7H14O2

  • Chemical Name:

    Hexyl formate

  • Synonyms:

    Formic acid,hexyl ester;Hexyl alcohol,formate;Hexyl formate;n-Hexyl formate;NSC 4780

  • Categories:

    Cosmetic Ingredient  >  Perfuming

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.

Toxicity

practically nontoxic

Hexyl formate Use and Manufacturing

Methods of 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.

Uses

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

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