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Home > Encyclopedia > 2-Methylbutyl isobutyrate

2-Methylbutyl isobutyrate

2-Methylbutyl isobutyrate structure

2-Methylbutyl isobutyrate 

structure
  • CAS No:

    2445-69-4

  • Formula:

    C9H18O2

  • Chemical Name:

    2-Methylbutyl isobutyrate

  • Synonyms:

    Propanoic acid,2-methyl-,2-methylbutyl ester;Isobutyric acid,2-methylbutyl ester;1-Butanol,2-methyl-,isobutyrate;2-Methylbutyl isobutyrate;2-Methylbutyl 2-methylpropanoate;2-Methylpropionic acid 2-methylbutyl ester;2-Methylbutyl isobutanoate;NSC 53946

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

2-Methylbutyl 2-methylpropanoate is a carboxylic ester.

2-Methylbutyl isobutyrate Basic Attributes

158.24

158.24

219-493-0

53946

2915600000

Characteristics

26.30000

2.37580

0.872 g/cm3

-73°C (estimate)

165.2ºC at 760 mmHg

50.5ºC

1.415

1.89mmHg at 25°C

Safety Information

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

H226

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Methylbutyl isobutyrate Use and Manufacturing

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

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:119
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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