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2-Methylbutyl butyrate

2-Methylbutyl butyrate structure

2-Methylbutyl butyrate 

structure
  • CAS No:

    51115-64-1

  • Formula:

    C9H18O2

  • Chemical Name:

    2-Methylbutyl butyrate

  • Synonyms:

    Butanoic acid,2-methylbutyl ester;2-Methylbutyl butyrate;2-Methylbutyl butanoate;2-Methylbutyl n-butyrate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless or slightly yellow transparent liquid


2-methylbutyl butanoate is a butyrate ester. It derives from a 2-methylbutan-1-ol.

2-Methylbutyl butyrate Basic Attributes

158.24

158.24

256-973-9

Characteristics

26.3

2.37580

0.874g/cm3

-73°C (estimate)

176.5ºC at 760mmHg

59.4ºC

1.416

Safety Information

III

3.2

1993

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

H226

|Warning|H226 (91.28%): 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 571 companies from 5 notifications to the ECHA C&L Inventory.

2-Methylbutyl butyrate Use and Manufacturing

Butanoic acid, 2-methylbutyl ester: ACTIVE

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

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:110
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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