ChemSpider 2D Image | benzyl ethyl ether | C9H12O

benzyl ethyl ether

  • Molecular FormulaC9H12O
  • Average mass136.191 Da
  • Monoisotopic mass136.088821 Da
  • ChemSpider ID21105860

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benzyl ethyl ether
(Ethoxymethyl)benzene [ACD/IUPAC Name]
(Éthoxyméthyl)benzène [French] [ACD/IUPAC Name]
(Ethoxymethyl)benzol [German] [ACD/IUPAC Name]
208-714-6 [EINECS]
539-30-0 [RN]
Benzene, (ethoxymethyl)- [ACD/Index Name]
Ethyl benzyl ether
MFCD00039903 [MDL number]
(ethoxymethyl)-Benzene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5Y0D90XR7K [DBID]
UNII-5Y0D90XR7K [DBID]
AI3-02270 [DBID]
FEMA 2144 [DBID]
FEMA No. 2144 [DBID]
NSC 8066 [DBID]
NSC8066 [DBID]
UNII:5Y0D90XR7K [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1068 (estimated with error: 68) NIST Spectra mainlib_3369, replib_63589
      1047.9 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.5 mm; Column length: 12 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 70 C; End T: 250 C; End time: 15 min; CAS no: 539300; Active phase: Methyl Silicone; Data type: Kovats RI; Authors: Rao, A.S.; Rajanikanth, B.; Seshadri, R., Volatile aroma components of Curcuma amada Roxb., J. Agric. Food Chem., 37(3), 1989, 740-743.) NIST Spectra nist ri
      1421 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 539300; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T., Photochemical studies on jasmin oil, J. Agric. Food Chem., 31, 1983, 554-558.) NIST Spectra nist ri
      1424 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 539300; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T., Photochemical studies on jasmin oil, J. Agric. Food Chem., 31, 1983, 554-558.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1046 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 539300; 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
      1439 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 539300; 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):

      1039.5 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 539300; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 185.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 52.9±6.4 °C
Index of Refraction: 1.493
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.38
ACD/KOC (pH 5.5): 508.60
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.38
ACD/KOC (pH 7.4): 508.60
Polar Surface Area: 9 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 145.1±3.0 cm3

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