2-Propanol, 1,1,1-trichloro-2-methyl-

• Formula: C₄H₇Cl₃O
• Molecular weight: 177.457
• IUPAC Standard InChI: InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 Copy

  
• IUPAC Standard InChIKey: OSASVXMJTNOKOY-UHFFFAOYSA-N Copy
• CAS Registry Number: 57-15-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: β,β,β-Trichloro-tert-butyl alcohol; Acetochlorone; Acetone chloroform; Chlorobutanol; Chlorbutanol; Chlorbutol; Chloreton; Chloretone; Chlortran; Clortran; Dentalone; Khloreton; Methaform; Sedaform; Trichloro-tert-butyl alcohol; 1,1,1-Trichloro-tert-butyl alcohol; 2-(Trichloromethyl)-2-propanol; 2-(Trichloromethyl)propan-2-ol; 1,1,1-Trichloro-2-methyl-2-propanol; tert-Trichlorobutyl alcohol; Acetonchloroform; HCP; 2-Propanol, 2-methyl-1,1,1-trichloro-; Trichloro-tert-butanol; Trichloro-t-butyl alcohol; t-Trichlorobutyl alcohol; 2,2,2-Trichloro-1,1-dimethylethanol; Coliquifilm; Trichlorobutanol; Anhydrous chlorobutanol; NSC 44794
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Koppel, Molder, et al., 1983
Koppel, I.A.; Molder, U.H.; Pikver, R.J., Photoelectron spectra of molecules. I. Alcohols, Org. React. Tartu, 1983, 20, 45. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Notes

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