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Octyl butyrate

Octyl butyrate structure

Octyl butyrate 

structure
  • CAS No:

    110-39-4

  • Formula:

    C12H24O2

  • Chemical Name:

    Octyl butyrate

  • Synonyms:

    Butanoic acid,octyl ester;Butyric acid,octyl ester;Octyl butyrate;n-Octyl butyrate;n-Octyl n-butyrate;Octyl butanoate;1-Octyl butyrate;NSC 72032;Caprylyl butyrate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid


Liquid|colourless liquid with a green herbaceous, parsley odour


Octyl butanoate is a carboxylic ester.

Octyl butyrate Basic Attributes

200.32

200.32

203-762-4

5YEU4O369L

72032

DTXSID9059387

Characteristics

26.30000

3.69020

Liquid

0.862 g/mL at 25 °C(lit.)

-55.6 °C

244.1 °C

218 °F

n20/D 1.425(lit.)

soluble in alcohol; practically insoluble in water

0.0349mmHg at 25°C

Safety Information

NONH for all modes of transport

3

22-24/25

Octyl butyrate Use and Manufacturing

Butanoic acid, octyl ester: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]|Cosmetics -> Solvent

Flavoring Agents

Computed Properties

Molecular Weight:200.32
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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