ChemSpider 2D Image | 2421 | C9H11NO2

2421

  • Molecular FormulaC9H11NO2
  • Average mass165.189 Da
  • Monoisotopic mass165.078979 Da
  • ChemSpider ID21106112

More details:






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

201-735-1 [EINECS]
2421
2-Aminobenzoate d'éthyle [French] [ACD/IUPAC Name]
37-25-2 [RN]
87-25-2 [RN]
Anaesthesine
Benzoic acid, 2-amino-, ethyl ester [ACD/Index Name]
DG2448000
Ethyl 2-aminobenzoate [ACD/IUPAC Name]
ethyl anthranilate
More...

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

38Y050IUE4 [DBID]
MFCD00007711 [DBID]
10700_FLUKA [DBID]
242977_ALDRICH [DBID]
AI3-02377 [DBID]
BRN 0878874 [DBID]
CCRIS 6238 [DBID]
FEMA No. 2421 [DBID]
HSDB 404 [DBID]
NCGC00091211-01 [DBID]
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  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1471 (estimated with error: 89) NIST Spectra mainlib_107479, replib_233261, replib_291385
      1387 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 150 C; CAS no: 87252; Active phase: OV-101; Substrate: Gas Chrom Q (80-100 mesh); Data type: Kovats RI; Authors: Delley, R.; Friedrich, K., System CG 72 von bevorzugten Trennflussigkeiten fur die Gas-Chromatographie, Chromatographia, 10(10), 1977, 593-600.) NIST Spectra nist ri
      1452 (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: 50 C; End T: 220 C; Start time: 2 min; CAS no: 87252; Active phase: CP Sil 8 CB; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J., Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France, Flavour Fragr. J., 21, 2006, 809-812.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1389.8 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 65 C; End T: 280 C; End time: 30 min; Start time: 10 min; CAS no: 87252; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: Joulain, D.; Casazza, A.; Laurent, R.; Portier, D.; Guillamon, N.; Pandya, R.; Le, M.; Viljoen, A., Volatile flavor constituents of fruits from Southern Africa: mobola plum (Parinari curatellifolia), J. Agric. Food Chem., 52, 2004, 2322-2325.) NIST Spectra nist ri
      1396 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 87252; Active phase: OV-101; Data type: Normal alkane RI; Authors: Shibamoto, T., Retention Indices in Essential Oil Analysis, in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s), Hutchig Verlag, Heidelberg, New York, 1987, 259-274., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 87252; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1403.3 (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: 2 K/min; Start T: 40 C; End T: 250 C; End time: 60 min; Start time: 5 min; CAS no: 87252; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Chouchi, D.; Barth, D.; Reverchon, E.; Porta, G.D., Bigarade peel oil fractionation by supercritical carbon dioxide desorption, J. Agric. Food Chem., 44, 1996, 1100-1104.) NIST Spectra nist ri
      2232 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 87252; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Shibamoto, T., Retention Indices in Essential Oil Analysis, in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s), Hutchig Verlag, Heidelberg, New York, 1987, 259-274., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 87252; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
    • Retention Index (Linear):

      1419 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 230 C; End time: 10 min; Start time: 2 min; CAS no: 87252; Active phase: DB-5; Carrier gas: N2; Phase thickness: 1 um; Data type: Linear RI; Authors: Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 20, 2005, 22-29.) NIST Spectra nist ri
      1413 (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: 4 K/min; Start T: 50 C; End T: 250 C; End time: 15 min; Start time: 5 min; CAS no: 87252; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 118, 2005, 414-418.) 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: 264.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 126.5±17.4 °C
Index of Refraction: 1.555
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.67
ACD/KOC (pH 5.5): 476.17
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.69
ACD/KOC (pH 7.4): 476.41
Polar Surface Area: 52 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 146.1±3.0 cm3

Click to predict properties on the Chemicalize site






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