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Cinnamyl isovalerate

Cinnamyl isovalerate structure

Cinnamyl isovalerate 

structure
  • CAS No:

    140-27-2

  • Formula:

    C14H18O2

  • Chemical Name:

    Cinnamyl isovalerate

  • Synonyms:

    Butanoic acid,3-methyl-,3-phenyl-2-propen-1-yl ester;Isovaleric acid,cinnamyl ester;Butanoic acid,3-methyl-,3-phenyl-2-propenyl ester;Cinnamyl alcohol,isovalerate;Cinnamyl isovalerate;3-Phenylallyl isovalerate;3-Phenyl-2-propen-1-yl isovalerate;3-Phenyl-2-propen-1-yl 3-methylbutanoate;NSC 46141

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Cinnamyl isovalerate has a characteristic rose-like odor and an apple-like taste.

Cinnamyl isovalerate Basic Attributes

218.29

218.29

205-407-9

2915900090

Characteristics

26.30000

4.03

0.992 g/mL at 25 °C(lit.)

313 °C(lit.)

>230 °F

n 20/D 1.52(lit.)

0.000269mmHg at 25°C

LD50 orl-rat: 5 g/kg FCTXAV 12,857,74

Safety Information

2

EK7902515

Cinnamyl isovalerate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of cinnamic alcohol and isovaleric acid.

Uses

GB 2760-1996 stipulates the allowable food flavors. Mainly used to formulate apple and strawberry flavors.

Computed Properties

Molecular Weight:218.29
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:218.130679813
Monoisotopic Mass:218.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:225
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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