ChemSpider 2D Image | Methyl 3,5-dimethoxybenzoate | C10H12O4

Methyl 3,5-dimethoxybenzoate

  • Molecular FormulaC10H12O4
  • Average mass196.200 Da
  • Monoisotopic mass196.073563 Da
  • ChemSpider ID21159597

More details:

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

2150-37-0 [RN]
218-423-6 [EINECS]
3,5-Diméthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 3,5-dimethoxybenzoate [ACD/IUPAC Name]
Methyl-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
MFCD00008432 [MDL number]
[2150-37-0] [RN]
2-(methylamino)pyrimidine-5-carboxylic acid
218-423-6MFCD00008432
More...

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

168793_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A11486
  • Gas Chromatography

    • Retention Index (Kovats):

      1439 (estimated with error: 89) NIST Spectra mainlib_352807, replib_8696, replib_229509

    • Retention Index (Linear):

      1541 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 12 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 240 C; End time: 75 min; Start time: 2 min; CAS no: 2150370; Active phase: BP-1; Carrier gas: H2; Data type: Linear RI; Authors: Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K., Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey, J. Agric. Food Chem., 37, 1989, 1217-1221.) NIST Spectra nist ri
      1510 (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: 8 K/min; Start T: 40 C; End T: 280 C; End time: 10 min; CAS no: 2150370; Active phase: OV-1; Carrier gas: He; Data type: Linear RI; Authors: Tan, S.-T.; Holland, P.T.; Wilkins, A.L.; Molan, P.C., Extractives from New Zealand honeys. 1. White clovers, manuka, and kanuka unifloral honeys, J. Agric. Food Chem., 36, 1988, 453-460.) NIST Spectra nist ri
      1591.1 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 2150370; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2008.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 295.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 128.0±21.8 °C
Index of Refraction: 1.498
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.81
ACD/KOC (pH 5.5): 385.77
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.81
ACD/KOC (pH 7.4): 385.77
Polar Surface Area: 45 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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