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Home > Encyclopedia > Isobutyl heptanoate

Isobutyl heptanoate

Isobutyl heptanoate structure

Isobutyl heptanoate 

structure
  • CAS No:

    7779-80-8

  • Formula:

    C11H22O2

  • Chemical Name:

    Isobutyl heptanoate

  • Synonyms:

    Heptanoic acid,2-methylpropyl ester;Heptanoic acid,isobutyl ester;Isobutyl heptanoate;Isobutyl heptylate;2-Methylpropyl heptanoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Isobutyl heptanoate has a characteristic green odor and corresponding taste when freshly prepared.


colourless liquid with a green odour


Isobutyl enanthate is a fatty acid ester.

Isobutyl heptanoate Basic Attributes

186.29

186.29

231-940-1

LJS6KH0B8M

DTXSID8064806

2915900000

Characteristics

26.30000

3.15600

colourless liquid with a green odour

0.8593 g/cm3 @ Temp: 20 °C

-67.5°C (estimate)

208 °C

82.9ºC

1.425

soluble in most organic solvents

Safety Information

NONH for all modes of transport

Isobutyl heptanoate Use and Manufacturing

Methods of Manufacturing

It can be obtained by direct esterification of heptanoic acid and isobutanol. It can also be obtained by keeping heptanoic acid and isobutanol in the presence of de-esterified celandine (Chelidonium majus) seeds at 20°C for 3 days.

Uses

Spices for food.

Heptanoic acid, 2-methylpropyl ester: ACTIVE

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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