36681

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

PESTANAL^®, analytical standard

• Synonym(s): β,β,β-Trichloro-tert-butyl alcohol hemihydrate, ‘Acetone chloroform’, ‘Chlorobutanol’
• Linear Formula: Cl₃CC(CH₃)₂OH · 0.5H₂O
• CAS Number: 6001-64-5
• Molecular Weight: 186.46
• Beilstein/REAXYS Number: 878167
• MDL number: MFCD02179352
• UNSPSC Code: 41116107
• PubChem Substance ID: 329755447
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• product line: PESTANAL^®
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): agriculture; environmental
• format: neat
• SMILES string: O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl
• InChI: 1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
• InChI key: WRWLCXJYIMRJIN-UHFFFAOYSA-N

Description

General description

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate is a detergent preservative with antifungal and antibacterial properties and is widely used in food and cosmetic industry.

Application

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate in combination with dimethyl sulfone, can serve as an appropriate solvent for the freeze drying of certain parenteral organic drugs, which have an increase in many factors such as stability, dissolution rate, dosing accuracy and sterility.

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate may be used as an analytical standard for the quantification of the analyte in pharmaceutical formulations using micellar electro-kinetic chromatography (MEKC).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 212.0 °F - closed cup
• flash_point_c: 100 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves