ChemSpider 2D Image | 2-Methoxybenzaldehyde | C8H8O2

2-Methoxybenzaldehyde

  • Molecular FormulaC8H8O2
  • Average mass136.148 Da
  • Monoisotopic mass136.052429 Da
  • ChemSpider ID21111781

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

2-Methoxybenzaldehyde [ACD/IUPAC Name] [Wiki]
2-Methoxybenzaldehyd [German] [ACD/IUPAC Name]
2-Méthoxybenzaldéhyde [French] [ACD/IUPAC Name]
2-Methoxybenzolcarbaldehyd
Benzaldehyde, 2-methoxy- [ACD/Index Name]
o-Anisaldehyde
135-02-4 [RN]
205-171-7 [EINECS]
2-Anisaldehyde
2-METHOXY BENZALDEHYDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

109622_ALDRICH [DBID]
64770_FLUKA [DBID]
MFCD00003308 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1171 (estimated with error: 89) NIST Spectra mainlib_228632, replib_77625
      1222.5 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 135024; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1227.9 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 135024; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1213 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 135024; Active phase: OV-101; Data type: Normal alkane RI; Authors: Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., , 2006, 836-845.) NIST Spectra nist ri
      1242 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50C(3min) =>3C/min =>100C =>2.7C/min =>140C =>2.4C/min =>180C =>6C/min =>250C; CAS no: 135024; Active phase: CP Sil 8 CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Meekijjaroenroj, A.; Bessiere, J.-M.; Anstett, M.-C., Chemistry of floral scents in four Licuala species (Arecaceae), Flavour Fragr. J., 22, 2007, 300-310.) NIST Spectra nist ri
      1202.5 (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: 8 K/min; Start T: 10 C; End T: 250 C; Start time: 1 min; CAS no: 135024; Active phase: HP-5; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Zierler, B.; Siegmund, B.; Pfannhauser, W., Determination of off-flavour compounds in apple juice caused by microorganisms using headspace solid phase microextraction-gas chromatography-mass spectrometry, Anal. Chim. Acta., 520, 2004, 3-11.) NIST Spectra nist ri
      1941 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Packed; CAS no: 135024; Active phase: Carbowax 20M; Substrate: Supelcoport; Data type: Normal alkane RI; Authors: Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 586, 1991, 85-112.) 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: 243.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 117.8±0.0 °C
Index of Refraction: 1.547
Molar Refractivity: 39.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.77
ACD/KOC (pH 5.5): 203.32
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.77
ACD/KOC (pH 7.4): 203.32
Polar Surface Area: 26 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 125.1±3.0 cm3

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