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538-56-7

538-56-7 Structure

538-56-7 Structure
IdentificationBack Directory
[Name]

3-PHENYLACRYLIC ANHYDRIDE
[CAS]

538-56-7
[Synonyms]

NSC 78945
Ai3-18175
Einecs 208-695-4
CINNAMIC ANHYDRIDE
CINNAMYLIC ANHYDRIDE
cinnamicacidanhydride
Cinnamic acid anhydride
3-PHENYLACRYLIC ANHYDRIDE
BENZENEPROPENOIC ANHYDRIDE
3-PHENYLPROPENOIC ANHYDRIDE
Bis(3-phenylpropenoic)anhydride
3-phenyl-2-propenoicacid,anhydride
2-Propenoic acid, 3-phenyl-, anhydride
2-Propenoic acid,3-phenyl-, 1,1'-anhydride
[EINECS(EC#)]

208-695-4
[Molecular Formula]

C18H14O3
[MDL Number]

MFCD00039641
[MOL File]

538-56-7.mol
[Molecular Weight]

278.3
Chemical PropertiesBack Directory
[Melting point ]

138℃ (ethanol )
[Boiling point ]

381.12°C (rough estimate)
[density ]

1.1627 (rough estimate)
[refractive index ]

1.5490 (estimate)
[InChI]

InChI=1S/C18H14O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
[InChIKey]

FXEDRSGUZBCDMO-PHEQNACWSA-N
[SMILES]

C1(=CC=CC=C1)/C=C/C(=O)OC(=O)/C=C/C1C=CC=CC=1
Hazard InformationBack Directory
[Uses]

Fragrance and flavoring ingredient.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 59, p. 2913, 1994 DOI: 10.1021/jo00089a046
Synthetic Communications, 13, p. 471, 1983 DOI: 10.1080/00397918308081826
[Purification Methods]

Crystallise the anhydride from *C6H6 or toluene/pet ether (b 60-80o) or EtOH (m 135-136o). [Beilstein 9 III 2703, 9 IV 2018.]
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