ChemSpider 2D Image | 2,4-Dimethylbenzaldehyde | C9H10O

2,4-Dimethylbenzaldehyde

  • Molecular FormulaC9H10O
  • Average mass134.175 Da
  • Monoisotopic mass134.073166 Da
  • ChemSpider ID21105885

More details:

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

15764-16-6 [RN]
2,4-Dimethylbenzaldehyd [German] [ACD/IUPAC Name]
2,4-Dimethylbenzaldehyde [ACD/IUPAC Name]
2,4-Diméthylbenzaldéhyde [French] [ACD/IUPAC Name]
239-856-7 [EINECS]
507131 [Beilstein]
Benzaldehyde, 2,4-dimethyl- [ACD/Index Name]
VHR B1 D1 [WLN]
2, 4-Dimethylbenzaldehyde
2,4-Dimethylbenzenecarboxaldehyde
More...

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

I06YU18H4A [DBID]
151041_ALDRICH [DBID]
CCRIS 4693 [DBID]
FEMA No. 3427 [DBID]
MFCD00003340 [DBID] [MDL number]
UNII:I06YU18H4A [DBID]
UNII-I06YU18H4A [DBID]
W342718_ALDRICH [DBID]
ZINC01850617 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1208 (estimated with error: 45) NIST Spectra mainlib_239029, replib_3155

    • Retention Index (Normal Alkane):

      1139 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 250 C; CAS no: 15764166; Active phase: OV-101; Carrier gas: He; Phase thickness: 0.5 um; Data type: Normal alkane RI; Authors: Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 46, 1991, 1421-1429.) NIST Spectra nist ri
      1140 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 250 C; CAS no: 15764166; Active phase: DB-1; Data type: Normal alkane RI; Authors: Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 33(2), 1985, 249-254.) NIST Spectra nist ri
      1143 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 0 C; End T: 250 C; CAS no: 15764166; Active phase: DB-1; Data type: Normal alkane RI; Authors: Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 33(2), 1985, 249-254.) NIST Spectra nist ri
      1175 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 40 0C (2 min) ^ 110 0C (2 min) ^ 3 0C/min -> 170 0C (2 min) ^ 4 0C/min -> 220 0C (2 min) ^ 10 0C/min -> 260 0C (5 min); CAS no: 15764166; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F., Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods, Journal of Tea Science, 27(1), 2007, 51-60.) NIST Spectra nist ri
      1217 (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: 15764166; 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
      1710 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 50 C; End T: 200 C; End time: 10 min; Start time: 10 min; CAS no: 15764166; Active phase: DB-Wax; Carrier gas: H2; Phase thickness: 0.5 um; Data type: Normal alkane RI; Authors: Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 985, 2003, 297-301.) NIST Spectra nist ri

    • Retention Index (Linear):

      1180 (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: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 15764166; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Flamini, G.; Cioni, P.L.; Morelli, I.; Ceccarini, L.; Andolfi, L.; Macchia, M., Composition of the essential oil of Medicago marina L. from the coastal dunes of Tuscany, Italy, Flavour Fragr. J., 18, 2003, 460-462., 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: 5 K/min; Start T: 60 C; End T: 220 C; Start time: 10 min; CAS no: 15764166; Active phase: HP-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Flamini, G.; Luigi Cioni, P.; Morelli, I., Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy), Flavour Fragr. J., 19, 2004, 327-329.) NIST Spectra nist ri
      1742 (Program type: Complex; Column... (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 45C(5min) =>10C/min =>80C =>2C/min =>240C; CAS no: 15764166; Active phase: CP-Wax 52CB; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 101, 2007, 1272-1278.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 220.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.551
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.32
ACD/KOC (pH 5.5): 752.86
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.32
ACD/KOC (pH 7.4): 752.86
Polar Surface Area: 17 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 133.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement