ChemSpider 2D Image | MFCD00053704 | C9H10O2

MFCD00053704

  • Molecular FormulaC9H10O2
  • Average mass150.174 Da
  • Monoisotopic mass150.068085 Da
  • ChemSpider ID21106000

More details:



Featured data source



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

1VOR B1 [WLN]
208-556-8 [EINECS]
2-Methylphenyl acetate [ACD/IUPAC Name]
2-Methylphenyl-acetat [German] [ACD/IUPAC Name]
533-18-6 [RN]
Acétate de 2-méthylphényle [French] [ACD/IUPAC Name]
Acetic acid 2-methylphenyl ester
Acetic acid o-tolyl ester
Acetic acid, 2-methylphenyl ester [ACD/Index Name]
Acetyl o-cresol
More...

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

606K99GR0L [DBID]
AI3-04168 [DBID]
FEMA No. 3072 [DBID]
NSC 58961 [DBID]
NSC58961 [DBID]
NSC6257 [DBID]
UNII:606K99GR0L [DBID]
UNII-606K99GR0L [DBID]
ZINC01095311 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1174 (estimated with error: 47) NIST Spectra mainlib_4675, replib_229156
    • Retention Index (Linear):

      1111 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 50 C; End T: 280 C; End time: 10 min; Start time: 3 min; CAS no: 533186; Active phase: ZB-1; Carrier gas: He; Phase thickness: 0.50 um; Data type: Linear RI; Authors: Urbanczyk, A.; Staniewski, J.; Szymanowski, J., Abraham model in gas chromatography of phenol pollutants, Anal. Chim. Acta., 466, 2002, 151-159.) NIST Spectra nist ri
      1122 (Program type: Complex; Column... (show more) class: Standard non-polar; Column length: 3.05 m; Column type: Packed; Description: 40C(5min)=>10C/min =>200C or 250C (60min); CAS no: 533186; Active phase: SE-30; Substrate: Supelcoport; Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172.) NIST Spectra nist ri
      1109 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 35C(5min) =>3C/min =>210C =>40C/min =>240C (4min); CAS no: 533186; Active phase: BPX-5; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 20, 2006, 2823-2836.) NIST Spectra nist ri
      1716 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Packed; Heat rate: 8 K/min; Start T: 40 C; End T: 200 C; End time: 60 min; Start time: 4 min; CAS no: 533186; Active phase: Carbowax 20M; Substrate: Supelcoport; Data type: Linear 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: 1.0±0.1 g/cm3
Boiling Point: 207.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 84.0±7.7 °C
Index of Refraction: 1.504
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.47
ACD/KOC (pH 5.5): 353.17
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.47
ACD/KOC (pH 7.4): 353.17
Polar Surface Area: 26 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

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