ChemSpider 2D Image | 2413 | C9H10O2

2413

  • Molecular FormulaC9H10O2
  • Average mass150.174 Da
  • Monoisotopic mass150.068085 Da
  • ChemSpider ID21105889

More details:






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

10031-82-0 [RN]
233-093-3 [EINECS]
2413
4-Ethoxybenzaldehyd [German] [ACD/IUPAC Name]
4-Ethoxybenzaldehyde [ACD/IUPAC Name]
4-Éthoxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-ethoxy- [ACD/Index Name]
CU6100000
p-ethoxybenzaldehyde
[10031-82-0]
More...

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

GOW1H0F49A [DBID]
MFCD00003388 [DBID]
02567_FLUKA [DBID]
173606_ALDRICH [DBID]
AI3-05684 [DBID]
BRN 0386863 [DBID]
CCRIS 4693 [DBID]
FEMA No. 2413 [DBID]
NSC 406709 [DBID]
NSC406709 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Brown liquid Novochemy [NC-29884]
      colourless liquid with a sweet, floral, anise odour Food and Agriculture Organization of the United Nations 4-Ethoxybenzaldehyde
    • Safety:

      20/21/22 Novochemy [NC-29884]
      20/21/36/37/39 Novochemy [NC-29884]
      26-37 Alfa Aesar A11987
      36/38 Alfa Aesar A11987
      GHS02; GHS07; GHS09 Novochemy [NC-29884]
      GHS07 Biosynth W-108968
      H315; H319; H335 Biosynth W-108968
      H315-H319 Alfa Aesar A11987
      H332; H403 Novochemy [NC-29884]
      IRRITANT Matrix Scientific 075572
      Irritant SynQuest 2615-1-26
      Irritant/Air Sensitive/Store under Argon SynQuest 2615-1-26
      P261; P305+P351+P338 Biosynth W-108968
      P280-P305+P351+P338-P362-P321-P332+P313-P337+P313 Alfa Aesar A11987
      P309+P311; P211; P242 Novochemy [NC-29884]
      R52/53 Novochemy [NC-29884]
      Warning Alfa Aesar A11987
      Warning Biosynth W-108968
      Warning Novochemy [NC-29884]
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A11987
  • Gas Chromatography
    • Retention Index (Kovats):

      1271 (estimated with error: 89) NIST Spectra mainlib_227691, replib_135369, replib_4684, replib_285214
      1301.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 10031820; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1310.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 10031820; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri
      1302.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 ft; Column type: Packed; Start T: 150 C; CAS no: 10031820; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Maeck, M.; Touabet, A.; Badjah Hadj Ahmed, A.Y.; Meklati, B.Y., A numerical interpolation of Kovats indices without dead time correction, Chromatographia, 27(5/6), 1989, 205-208.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1308 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 10031820; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 249.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 112.6±13.4 °C
Index of Refraction: 1.538
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.97
ACD/KOC (pH 5.5): 286.03
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.97
ACD/KOC (pH 7.4): 286.03
Polar Surface Area: 26 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

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