ChemSpider 2D Image | benzyl methyl ether | C8H10O

benzyl methyl ether

  • Molecular FormulaC8H10O
  • Average mass122.164 Da
  • Monoisotopic mass122.073166 Da
  • ChemSpider ID21170543

More details:



Featured data source



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

(Methoxymethyl)benzene [ACD/IUPAC Name]
(Méthoxyméthyl)benzène [French] [ACD/IUPAC Name]
(Methoxymethyl)benzol [German] [ACD/IUPAC Name]
208-705-7 [EINECS]
538-86-3 [RN]
Benzene, (methoxymethyl)- [ACD/Index Name]
benzyl methyl ether
MFCD00025901 [MDL number]
[538-86-3]
1-(Methoxymethyl)benzene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F22RLS78BD [DBID]
476730_ALDRICH [DBID]
AI3-21993 [DBID]
NSC 8058 [DBID]
NSC8058 [DBID]
UNII:F22RLS78BD [DBID]
UNII-F22RLS78BD [DBID]
ZINC01586379 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      3 Alfa Aesar B23490
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar B23490
      H226 Alfa Aesar B23490
      Irritant SynQuest 2707-1-27
      P210-P280-P240-P303+P361+P353-P403+P235-P501a Alfa Aesar B23490
      Warning Alfa Aesar B23490
  • Gas Chromatography
    • Retention Index (Kovats):

      969 (estimated with error: 68) NIST Spectra mainlib_135294, replib_20534, replib_62159, replib_230023
    • Retention Index (Normal Alkane):

      981 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 538863; 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
      973 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 538863; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) NIST Spectra nist ri
      1391 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 538863; 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
      1377 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 170 C; End time: 30 min; Start time: 4 min; CAS no: 538863; Active phase: DB-Wax; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N., Volatile components of green walnut husks, J. Agric. Food Chem., 48, 2000, 2858-2861.) NIST Spectra nist ri
    • Retention Index (Linear):

      966.1 (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: 538863; 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
      984 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(5min)=>2C/min=>220C=>5C/min=>250C(15min); CAS no: 538863; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 14, 1999, 303-311.) NIST Spectra nist ri
      1400 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.75 mm; Column length: 150 m; Column type: Capillary; CAS no: 538863; Active phase: Carbowax 20M; Data type: Linear RI; Authors: Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 29, 1981, 195-208.) 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: 174.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 36.4±6.4 °C
Index of Refraction: 1.496
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.25
ACD/KOC (pH 5.5): 341.04
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.25
ACD/KOC (pH 7.4): 341.04
Polar Surface Area: 9 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 128.6±3.0 cm3

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