ChemSpider 2D Image | 2,2-Dimethoxypropane | C5H12O2

2,2-Dimethoxypropane

  • Molecular FormulaC5H12O2
  • Average mass104.148 Da
  • Monoisotopic mass104.083733 Da
  • ChemSpider ID21106033

More details:






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

2,2-Dimethoxypropan [German] [ACD/IUPAC Name]
2,2-Dimethoxypropane [ACD/IUPAC Name] [Wiki]
2,2-Diméthoxypropane [French] [ACD/IUPAC Name]
2,2-Dimethyoxypropane
201-056-0 [EINECS]
66P41R0030
77-76-9 [RN]
Acetone dimethyl acetal
ACETONE DIMETHYL KETAL
acetone dimethylacetal
More...

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

33053_SUPELCO [DBID]
73137_FLUKA [DBID]
AI3-26275 [DBID]
D136808_SIAL [DBID]
NSC 62085 [DBID]
NSC62085 [DBID]
ZINC00402867 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable - note low flash point. Vapour may forman explosive mixture with air. May form explosive peroxides when exposed to air.Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11/1/1936 12:00:00 AM Alfa Aesar A13810
      11-36 Alfa Aesar A13810
      3 Alfa Aesar A13810
      9-16-23-26-33-60 Alfa Aesar A13810
      Danger Alfa Aesar A13810
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar A13810
      H225-H319 Alfa Aesar A13810
      Highly Flammable/Irritant/Moisture Sensitive SynQuest 2108-1-06
      Nov-36 Alfa Aesar A13810
      P210-P305+P351+P338 Alfa Aesar A13810
      R11,R36/37/38 SynQuest 2108-1-06
      S9,S16,S23,S24/25,S26,S36/37/39,S45 SynQuest 2108-1-06
      Safety glasses, good ventilation. Remove all sources of ignition. Oxford University Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      586 (estimated with error: 68) NIST Spectra mainlib_20002, replib_1275, replib_154558
      615 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 6 m; Column type: Packed; Start T: 50 C; CAS no: 77769; Active phase: Squalane; Carrier gas: N2; Substrate: Chromosorb W-AM; Data type: Kovats RI; Authors: Becerra, M.R.; Sanchez, E.F.; Dominguez, J.A.G.; Munoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 20, 1982, 363-366.) NIST Spectra nist ri
      616 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 6 m; Column type: Packed; Start T: 50 C; CAS no: 77769; Active phase: Squalane; Carrier gas: N2; Substrate: Chromosorb W-AM; Data type: Kovats RI; Authors: Becerra, M.R.; Sanchez, E.F.; Dominguez, J.A.G.; Munoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 20, 1982, 363-366.) NIST Spectra nist ri
      620 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 77769; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      627 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 77769; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      638 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 77769; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 83.0±0.0 °C at 760 mmHg
Vapour Pressure: 85.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.0±3.0 kJ/mol
Flash Point: -11.1±0.0 °C
Index of Refraction: 1.380
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 74.78
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 74.78
Polar Surface Area: 18 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 21.1±3.0 dyne/cm
Molar Volume: 123.8±3.0 cm3

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