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Butyl cinnamate

Butyl cinnamate structure

Butyl cinnamate 

structure
  • CAS No:

    538-65-8

  • Formula:

    C13H16O2

  • Chemical Name:

    Butyl cinnamate

  • Synonyms:

    2-Propenoic acid,3-phenyl-,butyl ester;Cinnamic acid,butyl ester;Butyl cinnamate;n-Butyl cinnamate;Cinnamic acid n-butyl ester;Eliminoxy;3-Phenyl-2-propenoic acid butyl ester;NSC 71966;Butyl 3-phenyl-2-propenoate;Butyl 3-phenylacrylate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Butyl cinnamate has a pleasant, balsamic, slightly cocoa-like odor.

Butyl cinnamate Basic Attributes

204.26

204.26

2328067

208-699-6

2916399090

Characteristics

26.3

3.9

Colourless, oily, somewhat viscous liquid, sweet, oily, balsamic, fruity odour

1.0270 g/cm3 @ Temp: 20 °C

177-178 °C @ Press: 13 Torr

90°C

1.537

slightly soluble to insoluble in water

Oral-rat LD50: > 5000 mg/kg; Oral-Mouse LD50: 7000 mg/kg

Thermal decomposition emits spicy and irritating smoke

Safety Information

NONH for all modes of transport

36/38

26-36

GD8425000

Low temperature dry and ventilated warehouse

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

Toxicity

practically nontoxic

Butyl cinnamate Use and Manufacturing

It is used in fragrances.

Computed Properties

Molecular Weight:204.26
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:204.115029749
Monoisotopic Mass:204.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:203
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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