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ChemSpider 2D Image | Ethyl 3-methoxybenzoate | C10H12O3

Ethyl 3-methoxybenzoate

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID21159876

More details:

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

10259-22-0 [RN]
3-Méthoxybenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-, ethyl ester [ACD/Index Name]
Ethyl 3-methoxybenzoate [ACD/IUPAC Name]
Ethyl-3-methoxybenzoat [German] [ACD/IUPAC Name]
MFCD00015149 [MDL number]
233-598-9 [EINECS]
3-Methoxybenzoic acid ethyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-21213]
    • Safety:

      20/21/22 Novochemy [NC-21213]
      20/21/36/37/39 Novochemy [NC-21213]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A10902
      GHS07; GHS09 Novochemy [NC-21213]
      H332; H403 Novochemy [NC-21213]
      P309+P311; P211; P242 Novochemy [NC-21213]
      Warning Novochemy [NC-21213]
      Xn Novochemy [NC-21213]
  • Gas Chromatography
    • Retention Index (Kovats):

      1349 (estimated with error: 89) NIST Spectra mainlib_374509
    • Retention Index (Normal Alkane):

      1730 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 250 C; End time: 30 min; Start time: 3 min; CAS no: 10259220; Active phase: Ultra-2; Carrier gas: He; Phase thickness: 0.52 um; Data type: Normal alkane RI; Authors: King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 41(11), 1993, 1974-1981.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 258.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 102.1±14.4 °C
Index of Refraction: 1.500
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.84
ACD/KOC (pH 5.5): 562.88
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.84
ACD/KOC (pH 7.4): 562.88
Polar Surface Area: 36 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

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