ChemSpider 2D Image | 4-Hydroxy-2-methylacetophenone | C9H10O2

4-Hydroxy-2-methylacetophenone

  • Molecular FormulaC9H10O2
  • Average mass150.174 Da
  • Monoisotopic mass150.068085 Da
  • ChemSpider ID21169891

More details:

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

1-(4-Hydroxy-2-methylphenyl)ethanon [German] [ACD/IUPAC Name]
1-(4-Hydroxy-2-methylphenyl)ethanone [ACD/IUPAC Name]
1-(4-Hydroxy-2-méthylphényl)éthanone [French] [ACD/IUPAC Name]
212-874-2 [EINECS]
4'-Hydroxy-2'-methylacetophenone
4-Hydroxy-2-methylacetophenone
875-59-2 [RN]
Ethanone, 1-(4-hydroxy-2-methylphenyl)- [ACD/Index Name]
1-(4-hydroxy-2-methylphenyl)ethan-1-one
1-(4-Hydroxy-2-methyl-phenyl)ethanone
More...

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

MFCD00002303 [DBID]
CCRIS 4693 [DBID]
H37806_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1363 (estimated with error: 89) NIST Spectra mainlib_235302, replib_118331, replib_117803

    • Retention Index (Normal Alkane):

      1942 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 60C(10min) =>4C/min =>220C (10min) =>1C/min =>240C; CAS no: 875592; Active phase: HP-Innowax FSC; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey, J. Chromatogr. A, 1117, 2006, 194-205., Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 60C(10min) =>4C/min=>220C(10min)=>1C/min=>240C; CAS no: 875592; Active phase: HP-Innowax FSC; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey, J. Chromatogr. A, 1097, 2005, 192-198.) NIST Spectra nist ri

    • Retention Index (Linear):

      1254 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 875592; Active phase: DB-5; Data type: Linear RI; Authors: Konig, W.A.; Joulain, D.; Hochmuth, D.H., GC/MS Library: Terpenoids and Related Constituents of Essential Oils, 2006.) 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: 313.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 127.9±14.9 °C
Index of Refraction: 1.546
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.49
ACD/KOC (pH 5.5): 269.77
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 238.85
Polar Surface Area: 37 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 135.7±3.0 cm3

Click to predict properties on the Chemicalize site


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