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20801 Sigma-Aldrich

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)

Synonym: β,β,β-Trichloro-tert-butyl alcohol hemihydrate, ‘Acetone chloroform’, ‘Chlorobutanol’

  • CAS Number 6001-64-5

  • Linear Formula Cl3CC(CH3)2OH · 0.5H2O

  • Molecular Weight 186.46

  •  Beilstein Registry Number 878167

  •  EC Number 249-042-3

  •  MDL number MFCD02179352

  •  PubChem Substance ID 57647873

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Properties

Related Categories Analytical/Chromatography, Pharmacopoeia, Pharmacopoeia A-Z More...
InChI Key   WRWLCXJYIMRJIN-UHFFFAOYSA-N
assay   98-100.5% (calc with ref. to anhyd. subst.)
quality   meets analytical specification of Ph. Eur., BP, NF
impurities   ≤0.002% heavy metals (as Pb)
  4.5-5.5% water (Karl Fischer)
ign. residue   ≤0.1% (as SO4)
mp   76-80 °C
anion traces   chloride (Cl-): ≤100 mg/kg

Description

Application

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) is a preservative used as a standard for quantifying preservatives in pharmaceutical formulations by using capillary electrophoretic method. It has also been used to anesthetize leeches for preparing c-DNA library from regenerating retzius cells.

Biochem/physiol Actions

Chlorobutanol or 1,1,1-Trichloro-2-methyl-2-propanol is a opthalmic preservative and sedative hypnotic that possess antibacterial and antifungal properties. It also decreases the conduction velocity and induces conduction failure and automaticity within isolated ventricular muscle strips as well as impacts myocardial cells by acting on cell membrane and reduces isometric tension produced by heart.

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Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
212 °F
Flash Point(C) 
100 °C
Protocols & Articles
Peer-Reviewed Papers
15

References

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