ChemSpider 2D Image | 2-Methyl-3-butyn-2-ol | C5H8O

2-Methyl-3-butyn-2-ol

  • Molecular FormulaC5H8O
  • Average mass84.116 Da
  • Monoisotopic mass84.057518 Da
  • ChemSpider ID21106133

More details:

Featured data source
The Merck Index Online

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

115-19-5 [RN]
204-070-5 [EINECS]
2-Methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
2-Methyl-3-butyn-2-ol [ACD/IUPAC Name]
2-Méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
2-methylbut-3-yn-2-ol
3-Butyn-2-ol, 2-methyl- [ACD/Index Name]
Dimethyl ethynyl carbinol
MFCD00004467 [MDL number]
[115-19-5] [RN]
More...

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

129763_ALDRICH [DBID]
AI3-23121 [DBID]
BRN 0635746 [DBID]
EHB904XHKH [DBID]
NSC 523 [DBID]
NSC523 [DBID]
ZINC01555582 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless to light yellow liquid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Flammable. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 1950 mg kg-1, ORL-MUS LD50 500 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      10/22/1941 Alfa Aesar L07593
      10/22/1941 12:00:00 AM Alfa Aesar L07593
      10-22-41 Alfa Aesar L07593
      23-26-36/39 Alfa Aesar L07593
      23-26-36/39-60 Alfa Aesar L07593
      3 Alfa Aesar L07593
      Danger Alfa Aesar L07593
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar L07593
      H225-H318-H302 Alfa Aesar L07593
      P210-P280-P303+P361+P353-P305+P351+P338-P403+P235-P501a Alfa Aesar L07593
      Safety glasses, good ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography

    • Retention Index (Kovats):

      608 (estimated with error: 41) NIST Spectra mainlib_19343, replib_521, replib_63618
      538 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 115195; 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
      544 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 115195; 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 (Linear):

      1230 (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: 115195; 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, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 104.2±8.0 °C at 760 mmHg
Vapour Pressure: 17.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.0±6.0 kJ/mol
Flash Point: 25.0±0.0 °C
Index of Refraction: 1.444
Molar Refractivity: 24.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.65
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 44.65
Polar Surface Area: 20 Å2
Polarizability: 9.7±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 92.4±3.0 cm3

Click to predict properties on the Chemicalize site


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