ChemSpider 2D Image | 4-(3-Ethoxy-4-hydroxyphenyl)-2-butanone | C12H16O3

4-(3-Ethoxy-4-hydroxyphenyl)-2-butanone

  • Molecular FormulaC12H16O3
  • Average mass208.254 Da
  • Monoisotopic mass208.109940 Da
  • ChemSpider ID24208550

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Butanone, 4-(3-ethoxy-4-hydroxyphenyl)- [ACD/Index Name]
4-(3-Ethoxy-4-hydroxyphenyl)-2-butanon [German] [ACD/IUPAC Name]
4-(3-Ethoxy-4-hydroxyphenyl)-2-butanone [ACD/IUPAC Name]
4-(3-Éthoxy-4-hydroxyphényl)-2-butanone [French] [ACD/IUPAC Name]
569646-79-3 [RN]
2-Butanone, 4-(3-ethoxy-4-hydroxyphenyl)- (7CI)
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
ethylzingerone
HEPB
HYDROXYETHOXYPHENYL BUTANONE
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TH7ξ54W45 [DBID]
UNII:TH7ξ54W45 [DBID]
  • Miscellaneous

    • Chemical Class:

      A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by ethoxy and hydroxy groups, respectively. It is a preservative with antimicrobial activity an d a good safety profile that has been approved for use in cosmetics. It is structurally similar to zingerone, a phytochemical found in the root of the ginger plant Zingiber officinale. ChEBI CHEBI:172922

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 337.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 126.3±17.2 °C
Index of Refraction: 1.521
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.16
ACD/KOC (pH 5.5): 142.34
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 142.10
Polar Surface Area: 47 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 191.3±3.0 cm3

Click to predict properties on the Chemicalize site


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