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Home > Encyclopedia > 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid structure

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid 

structure
  • CAS No:

    2596-47-6

  • Formula:

    C12H12O5

  • Chemical Name:

    3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid

  • Synonyms:

    2-Propenoic acid,3-[4-(acetyloxy)-3-methoxyphenyl]-;Cinnamic acid,4-hydroxy-3-methoxy-,acetate;3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid;3-Methoxy-4-acetoxycinnamic acid;Acetylferulic acid;4-Acetoxy-3-methoxycinnamic acid;Ferulic acid acetate;4-Acetyloxy-3-methoxycinnamic acid;3-(4-Acetoxy-3-methoxyphenyl)-2-propenoic acid;O-Acetylferulic acid;NSC 16957

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

ChEBI: An acetate ester obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid.

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid Basic Attributes

236.22

236.22

2218026

Characteristics

72.83000

1.71830

1.265g/cm3

196-198 °C

372℃

142℃

1.575

3.44E-06mmHg at 25°C

Safety Information

III

IRRITANT

2811

R36/37/38

S26-S36/37/39

T,Xi

P261, P264, P270, P280, P285, P301+P312, P304+P341, P305+P351+P338, P330, P337+P313, P342+P311, P501

H302

2811

Computed Properties

Molecular Weight:236.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:236.06847348
Monoisotopic Mass:236.06847348
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:310
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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