ChemSpider 2D Image | 4-Ethoxy ethylbenzoate | C11H14O3

4-Ethoxy ethylbenzoate

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID21106110

More details:

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

23676-09-7 [RN]
245-818-0 [EINECS]
4-Ethoxy ethylbenzoate
4-Éthoxybenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-ethoxy-, ethyl ester [ACD/Index Name]
Ethyl 4-ethoxybenzoate [ACD/IUPAC Name]
Ethyl-4-ethoxybenzoat [German] [ACD/IUPAC Name]
MFCD00009116 [MDL number]
2-(2-methoxyphenyl)-3,4,4-trimethyl-oxazolidine
'23676-09-7 [EINECS]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless viscous liquid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Incompatible with strong oxidizing agents.Combustible. OU Chemical Safety Data (No longer updated) More details

    • Safety:

      22 Alfa Aesar A15010
      23-36 Alfa Aesar A15010
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A15010
      H302 Alfa Aesar A15010
      Minimize contact. OU Chemical Safety Data (No longer updated) More details
      P264-P270-P301+P312-P330-P501a Alfa Aesar A15010
      Warning Alfa Aesar A15010
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A15010
  • Gas Chromatography

    • Retention Index (Kovats):

      1448 (estimated with error: 89) NIST Spectra mainlib_107721, replib_92397, replib_374551

    • Retention Index (Normal Alkane):

      1521 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 220 C; Start time: 1 min; CAS no: 23676097; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 66, 2005, 1941-1955.) NIST Spectra nist ri

    • Retention Index (Linear):

      1537 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; End T: 270 C; CAS no: 23676097; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., 2011.) NIST Spectra nist ri
      1522 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 23676097; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 56, 2001, 443-452.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 275.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 114.0±14.4 °C
Index of Refraction: 1.497
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.40
ACD/KOC (pH 5.5): 1198.66
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.40
ACD/KOC (pH 7.4): 1198.66
Polar Surface Area: 36 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 184.3±3.0 cm3

Click to predict properties on the Chemicalize site


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