Cas no 94201-33-9 (2-Propenoic acid,3-[3,5-bis(1-methylethyl)phenyl]-, ethyl ester)

2-Propenoic acid,3-[3,5-bis(1-methylethyl)phenyl]-, ethyl ester structure
94201-33-9 structure
Product Name:2-Propenoic acid,3-[3,5-bis(1-methylethyl)phenyl]-, ethyl ester
CAS No:94201-33-9
MF:C17H24O2
MW:260.371265411377
CID:811902
PubChem ID:6434117
Update Time:2025-04-19

2-Propenoic acid,3-[3,5-bis(1-methylethyl)phenyl]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-[3,5-bis(1-methylethyl)phenyl]-, ethyl ester
    • ethyl 3-[3,5-bis(1-methylethyl)phenyl]acrylate
    • ethyl 3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
    • 2179319-51-6
    • EINECS 303-618-1
    • Ethyl (E)-3-(3,5-diisopropylphenyl)prop-2-enoate
    • NS00013660
    • Ethyl 3-(3,5-bis(1-methylethyl)phenyl)acrylate
    • UNII-Y7MZY5MYR4
    • Ethyl 3,5-diisopropylcinnamate
    • Ethyl 3-(3,5-diisopropylphenyl)acrylate
    • 2-Propenoic acid, 3-(3,5-bis(1-methylethyl)phenyl)-, ethyl ester
    • 94201-33-9
    • Y7MZY5MYR4
    • 2-Propenoic acid, 3-(3,5-bis(1-methylethyl)phenyl)-, ethyl ester, (2E)-
    • SCHEMBL1172963
    • Inchi: 1S/C17H24O2/c1-6-19-17(18)8-7-14-9-15(12(2)3)11-16(10-14)13(4)5/h7-13H,6H2,1-5H3/b8-7+
    • InChI Key: CCDVTESUSACXIP-BQYQJAHWSA-N
    • SMILES: O(CC)C(/C=C/C1C=C(C=C(C=1)C(C)C)C(C)C)=O

Computed Properties

  • Exact Mass: 260.17763
  • Monoisotopic Mass: 260.17763
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 288
  • 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: 5.2
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 0.974
  • Boiling Point: 347.3°Cat760mmHg
  • Flash Point: 174.7°C

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