ChemSpider 2D Image | 4-Ethylanisole | C9H12O

4-Ethylanisole

  • Molecular FormulaC9H12O
  • Average mass136.191 Da
  • Monoisotopic mass136.088821 Da
  • ChemSpider ID21170124

More details:






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

1515-95-3 [RN]
1-Ethyl-4-methoxybenzene [ACD/IUPAC Name]
1-Éthyl-4-méthoxybenzène [French] [ACD/IUPAC Name]
1-Ethyl-4-methoxybenzol [German] [ACD/IUPAC Name]
4-Ethylanisole
4-Ethylphenyl methyl ether
Benzene, 1-ethyl-4-methoxy- [ACD/Index Name]
"BENZENE, 1-ETHYL-4-METHOXY-"
"BENZENE, 1-ETHYL-4-METHOXY-"|1-ETHYL-4-METHOXYBENZENE
[(1S)-3-benzyloxy-1-benzyloxycarbonyl-3-oxo-propyl]ammonium; 4-methylbenzenesulfonate;L-Aspartic acid dibenzyl ester p-toluenesulfonate salt
More...

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

I71P5QG20S [DBID]
533807_ALDRICH [DBID]
CCRIS 4693 [DBID]
NSC5294 [DBID]
UNII:I71P5QG20S [DBID]
UNII-I71P5QG20S [DBID]
ZINC01589906 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-33485]
    • Safety:

      20/21/22 Novochemy [NC-33485]
      20/21/36/37/39 Novochemy [NC-33485]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A10391
      GHS07; GHS09 Novochemy [NC-33485]
      H332; H403 Novochemy [NC-33485]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-33485]
      R52/53 Novochemy [NC-33485]
      Warning Novochemy [NC-33485]
  • Gas Chromatography
    • Retention Index (Kovats):

      1082 (estimated with error: 68) NIST Spectra mainlib_61972, replib_229876
      1110 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 100 C; CAS no: 1515953; Active phase: Apiezon L; Substrate: Chromatone N AW DNCS; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      1124 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 150 C; CAS no: 1515953; Active phase: Apiezon L; Substrate: Chromatone N AW DNCS; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      1550.8 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 160 C; CAS no: 1515953; Active phase: PEG-20M; Carrier gas: N2; Substrate: Chromosorb G; Data type: Kovats RI; Authors: Still, R.H.; Whitehead, A., Thermal degradation of polymers. XV. Vacuum pyrolysis studies on poly(p-methoxystyrene) and poly(p-hydroxystyrene), J. Appl. Polym. Sci., 21, 1977, 1199-1213.) NIST Spectra nist ri
      1551.2 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 160 C; CAS no: 1515953; Active phase: PEG-20M; Carrier gas: N2; Substrate: Chromosorb G; Data type: Kovats RI; Authors: Still, R.H.; Whitehead, A., Thermal degradation of polymers. XV. Vacuum pyrolysis studies on poly(p-methoxystyrene) and poly(p-hydroxystyrene), J. Appl. Polym. Sci., 21, 1977, 1199-1213.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1091 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 1515953; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri
      1104 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column type: Capillary; Description: 50C =>3C/min =>200C(10min) =>10C/min => 290C(10min); CAS no: 1515953; Active phase: HP-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 68, 2007, 2584-2598.) NIST Spectra nist ri
      1109.2 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 50 0C (2 min) ^ 7 0C/min -> 140 0C ^ 17.5 0C/min -> 260 0C; CAS no: 1515953; Active phase: BPX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Seitz, L.M.; Ram, M.S., Volatile methoxybenzene compounds in grains with off-odors, J. Agric. Food Chem., 48, 2000, 4279-4289.) NIST Spectra nist ri
      1122 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 6 K/min; Start T: 35 C; End T: 200 C; Start time: 2 min; CAS no: 1515953; Active phase: HP-5; Data type: Normal alkane RI; Authors: Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 99(10), 1995, 1153-1166.) 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: 195.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.4±3.0 kJ/mol
Flash Point: 68.5±4.9 °C
Index of Refraction: 1.493
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.54
ACD/KOC (pH 5.5): 977.19
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.54
ACD/KOC (pH 7.4): 977.19
Polar Surface Area: 9 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 146.3±3.0 cm3

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