Cas no 27542-85-4 (2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)-)

2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)-, is a derivative of cinnamic acid featuring an acetyloxy substituent on the phenyl ring. This compound is of interest in organic synthesis and material science due to its conjugated double bond system and functional group reactivity. The presence of the acetyloxy group enhances its solubility in organic solvents, facilitating its use as an intermediate in the preparation of polymers, coatings, and photoactive materials. Its (E)-configuration ensures structural stability, making it suitable for applications requiring precise molecular alignment. The compound’s reactivity with nucleophiles and electrophiles further broadens its utility in fine chemical synthesis.
2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)- structure
27542-85-4 structure
Product Name:2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)-
CAS No:27542-85-4
MF:C11H10O4
MW:206.194703578949
CID:1432069
PubChem ID:354333470
Update Time:2025-06-07

2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)-
    • trans-4-Acetoxycinnamic Acid
    • 3-(4-acetoxyphenyl)-2-propenoic acid
    • (2E)-3-[4-(acetyloxy)phenyl]-2-propenoic acid
    • 3-(4-Acetoxyphenyl)-acrylic acid
    • 3-(4-ACETOXY-PHENYL)-ACRYLIC ACID
    • 4-acetoxycinnamic acid
    • 4-ACETYLCOUMARIC ACID
    • 4-acetyloxycinnamic acid
    • p-acetoxy-cinnamic acid
    • p-Acetoxycinnamic acid
    • trans-3-(4-Acetoxyphenyl)-2-propenoic Acid
    • AC-16258
    • bmse010066
    • (2E)-3-[4-(acetyloxy)phenyl]prop-2-enoic acid
    • MFCD00016847
    • SCHEMBL716835
    • AKOS025311074
    • SBB064754
    • (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid
    • 15486-19-8
    • 4-Acetoxycinnamic acid, predominantly trans
    • NS00093591
    • AKOS005068227
    • 3-[4-(acetyloxy)phenyl]prop-2-enoic acid
    • CBA54285
    • 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-
    • 27542-85-4
    • 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (2E)-
    • NSC-40967
    • (E)-3-(4-acetoxyphenyl)prop-2-enoic acid
    • (E)-4-acetoxycinnamic acid
    • (E)-3-(4-Acetoxyphenyl)acrylic acid
    • CHEBI:86580
    • AS-14838
    • 3-[4-(acetyloxy)phenyl]acrylic acid
    • W-108027
    • 4-acetoxy-trans-cinnamic acid
    • 3-(4-ACETOXYPHENYL)ACRYLIC ACID
    • NS00025029
    • AQ-917/42754023
    • (E)-3-(4-Acetoxyphenyl)acrylicacid
    • SCHEMBL720473
    • NSC40967
    • (2E)-3-[4-(Acetyloxy)phenyl]-2-propenoic acid #
    • Q27159261
    • NSC 40967
    • DTXSID1065899
    • 2-Propenoic acid, 3-(4-(acetyloxy)phenyl)-
    • EINECS 239-512-6
    • A2845
    • DTXCID5034987
    • (2E)-3-(4-(acetyloxy)phenyl)prop-2-enoic acid
    • MDL： MFCD00016847
    • Inchi： 1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
    • InChI Key： BYHBHNKBISXCEP-QPJJXVBHSA-N
    • SMILES： O(C(C)=O)C1C=CC(/C=C/C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 206.05800
  • Monoisotopic Mass: 206.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 262
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 208.0 to 212.0 deg-C
  • Boiling Point: 365.5±17.0 °C at 760 mmHg
  • Flash Point: 144.4±14.4 °C
  • PSA: 63.60000
  • LogP: 1.70970
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, (E)- Security Information

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