Cinnamic acid, p-hydroxy-, acetate

HCID 85857

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Basic information

CAS: 15486-19-8
Standard SMILES: CC(=O)Oc1ccc(C=CC(=O)O)cc1
InChIKey: BYHBHNKBISXCEP-UHFFFAOYSA-N
Molecular formula: C11H10O4
Average molar mass: 206.19 g/mol
Monoisotopic mass: 206.0579088

Names & identifiers

Preferred name: Cinnamic acid, p-hydroxy-, acetate
IUPAC: 3-(4-acetyloxyphenyl)prop-2-enoic acid
English name: 4-Acetoxycinnamic acid
Molecular formula: C11H10O4
Molecular weight: 206.19

Names & synonyms

Cinnamic acid, p-hydroxy-, acetateU5EWR96PSW3-[4-(acetyloxy)phenyl]prop-2-enoic acidNSC-409673-(4-acetyloxyphenyl)prop-2-enoic acidp-acetoxy-cinnamic acid4-acetyloxycinnamic acidUNII-U5EWR96PSWSCHEMBL720473orb1680097BYHBHNKBISXCEP-UHFFFAOYSA-N3-(4-acetoxyphenyl)-acrylic acid

Show more names

3-(4-ACETOXYPHENYL)ACRYLIC ACIDNSC 40967p-AcetoxycinnamicRARECHEM BK HW 00484-ACETYLCOUMARIC ACIDSPECS AQ-917/42754023P-ACETYLCOUMARIC ACIDP-ACETOXYCINNAMIC ACIDAcetoxycinnamicacid 4-

3-(4-acetoxyphenyl)prop-2-enoic acidDB-043244

Database identifiers

CAS: 15486-19-8
PubChem CID: 85857
DTXSID: DTXSID1065899
UNII: U5EWR96PSW

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 262

Physicochemical properties

Melting point: 205 · 205-208°C
Boiling point: 209 · 209-211
Density: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
pka: 4.39 · 4.39±0.10(Predicted)
color: White to off-white
BRN: 2645987 · 2645987
CAS DataBase Reference: 15486 · 15486-19-8(CAS DataBase Reference)
FDA UNII: 5 EWR96PSW · U5EWR96PSW
EPA Substance Registry System: 2 · 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]- (15486-19-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Safety Statements: 22 · 22-24/25
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H315-H319-H335
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Acetoxycinnamic acid is an acetate ester obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid. 4-Acetoxycinnamic acid is a member of cinnamic acids and a member of phenyl acetates. 4-Acetoxycinnamic acid derives from a trans-4-coumaric acid[1].

Suppliers64 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 4-acetoxycinnamic acid is an acetate ester obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid. It is a member of cinnamic acids and a member of phenyl acetates. It is functionally related to a trans-4-coumaric acid.