ChemSpider 2D Image | 2,3-Dimethylanisole | C9H12O

2,3-Dimethylanisole

  • Molecular FormulaC9H12O
  • Average mass136.191 Da
  • Monoisotopic mass136.088821 Da
  • ChemSpider ID21159742

More details:

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

1-Methoxy-2,3-dimethylbenzene [ACD/IUPAC Name]
1-Méthoxy-2,3-diméthylbenzène [French] [ACD/IUPAC Name]
1-Methoxy-2,3-dimethylbenzol [German] [ACD/IUPAC Name]
2,3-Dimethylanisole
2,3-Dimethylphenyl methyl ether
220-948-0 [EINECS]
2944-49-2 [RN]
Benzene, 1-methoxy-2,3-dimethyl- [ACD/Index Name]
MFCD00008376 [MDL number]
[2944-49-2] [RN]
More...

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

137464_ALDRICH [DBID]
NSC137144 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A19992
  • Gas Chromatography

    • Retention Index (Kovats):

      1096 (estimated with error: 68) NIST Spectra mainlib_108075, replib_118296, replib_235157

    • Retention Index (Normal Alkane):

      1123 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 100 C; End T: 260 C; CAS no: 2944492; Active phase: RTX-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri
      1111 (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: 2944492; 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

    • Retention Index (Linear):

      1144.2 (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: 2944492; 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., 2007.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 195.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.4±3.0 kJ/mol
Flash Point: 68.3±0.0 °C
Index of Refraction: 1.495
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.68
ACD/KOC (pH 5.5): 944.78
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.68
ACD/KOC (pH 7.4): 944.78
Polar Surface Area: 9 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 146.0±3.0 cm3

Click to predict properties on the Chemicalize site


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