Synonym: β,β,β-Trichloro-t-butanol; β,β,β-Trichloro-tert-butyl alcohol hemihydrate; Acetone chloroform; Chloretone; Chlorobutanol
CAS Number: 6001-64-5
Empirical Formula (Hill Notation): C4H7Cl3O · 0.5H2O
Molecular Weight: 186.46
EC Number: 249-042-3
MDL Number: MFCD02179352
Linear Formula: Cl3CC(CH3)2OH · 0.5H2O
Product Type: Chemical
| assay |
98% |
| form |
solid |
| functional group |
chloro |
| InChI |
1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2 |
| InChI key |
WRWLCXJYIMRJIN-UHFFFAOYSA-N |
| mp |
77-79 °C (lit.) |
| Quality Level |
200  |
| SMILES string |
O.CC(C)(O)C(Cl)(Cl)Cl |
| Application: |
1,1,1-Trichloro-2-methyl-2-propanol (chlorobutanol) is a preservative that can be quantified using capillary electrophoretic method. |
| General description: |
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) converts benzisoxazole to α-aryloxyisobutyric acid. 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) forms eutectic with dimethyl sulfone, which is the most suitable media for freeze-drying due to its high solubilizing ability and a good rate of solvent removal. |
| Packaging: |
50, 250, 500 g in poly bottle |
| Symbol |
 GHS07 |
| Signal word |
Warning |
| Hazard statements |
H302 |
| Precautionary statements |
P301 + P312 + P330 |
| Hazard Codes |
Xn |
| Risk Statements |
22-36/37/38 |
| Safety Statements |
26-36/37/39 |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
212.0 °F - closed cup |
| Flash Point(C) |
100 °C - closed cup |
| Purity |
98% |
| mp |
77-79 °C (lit.) |
| UNSPSC |
12352100 |
