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Phenethyl cinnamate

Phenethyl cinnamate structure

Phenethyl cinnamate 

structure
  • CAS No:

    103-53-7

  • Formula:

    C17H16O2

  • Chemical Name:

    Phenethyl cinnamate

  • Synonyms:

    2-Propenoic acid,3-phenyl-,2-phenylethyl ester;Cinnamic acid,phenethyl ester;Benzylcarbinyl cinnamate;Phenethyl cinnamate;β-Phenylethyl cinnamate;β-Phenethyl cinnamate;2-Phenylethyl cinnamate;NSC 16962;2-Phenylethyl 3-phenyl-2-propenoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Phenethyl cinnamate Basic Attributes

252.31

252.31

203-120-3

2942000000

Characteristics

26.3

3.48570

Solid

1.1±0.1 g/cm3

54 °C

405.9°C at 760 mmHg

>230 °F

1.598

insoluble in water; soluble in oils

8.49E-07mmHg at 25°C

Oral-rat LD50: 5000 mg/kg; Oral-Mouse LD50: 4500 mg/kg

Flammable; burning emissions stimulate smoke

Safety Information

NONH for all modes of transport

2

36/37/38

26-36

GE0405000

Xi

Ventilated, low temperature and dry

P261-P305 + P351 + P338

H315-H319-H335

Toxicity

moderately toxic

Phenethyl cinnamate Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of phenethyl alcohol and methyl cinnamate.

Uses

GB 2760 1996 stipulates the allowable food flavors. Mainly used to prepare flavors such as peaches, apricots, cherries and strawberries.

2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester: ACTIVE

Computed Properties

Molecular Weight:252.31
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:252.115029749
Monoisotopic Mass:252.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:19
Complexity:284
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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