Phenethyl cinnamate
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Phenethyl cinnamate
structure -
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CAS No:
103-53-7
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Formula:
C17H16O2
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Chemical Name:
Phenethyl cinnamate
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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
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CAS No:
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
Phenethyl cinnamate Use and Manufacturing
Derived from the reaction of phenethyl alcohol and methyl cinnamate.
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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