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Cinnamyl isobutyrate

Cinnamyl isobutyrate structure

Cinnamyl isobutyrate 

structure
  • CAS No:

    103-59-3

  • Formula:

    C13H16O2

  • Chemical Name:

    Cinnamyl isobutyrate

  • Synonyms:

    Propanoic acid,2-methyl-,3-phenyl-2-propen-1-yl ester;Isobutyric acid,cinnamyl ester;Propanoic acid,2-methyl-,3-phenyl-2-propenyl ester;Cinnamyl alcohol,isobutyrate;Cinnamyl isobutyrate;3-Phenyl-2-propen-1-yl isobutyrate;NSC 46133

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Cinnamyl isobutyrate Basic Attributes

204.26

204.26

203-126-6

DTXSID6047608

2915900090

Characteristics

26.30000

3.50

Colourless to yellowish liquid, sweet, balsamic fruity odour

1.0±0.1 g/cm3

254 °C

>230 °F

1.536

insoluble in water; soluble in oils

0.000741mmHg at 25°C

Safety Information

NONH for all modes of transport

2

NQ4558000

Cinnamyl isobutyrate Use and Manufacturing

Methods of Manufacturing

Catalyzed by sulfuric acid, it is directly esterified from isobutyric acid and duritol.

Uses

GB 2760-89 stipulates that it is temporarily allowed to use food flavors.

Computed Properties

Molecular Weight:204.26
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:204.115029749
Monoisotopic Mass:204.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:213
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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