1.01005

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

EMPROVE^® ESSENTIAL, Ph. Eur., BP, JP, NF

• Synonym(s): 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, Acetone chloroform, Chlorbutol, Chloretone, Chlorobutanol
• Empirical Formula (Hill Notation): C₄H₇Cl₃O · 0.5H₂O
• CAS Number: 6001-64-5
• Molecular Weight: 186.46
• MDL number: MFCD02179352
• UNSPSC Code: 12352104
• EC Index Number: 200-317-6

Properties

• agency: BP; JP; NF; Ph. Eur.
• Quality Level: 500
• product line: EMPROVE^® ESSENTIAL
• form: solid
• pH: 4.5-6 (20 °C, 7.7 g/L in H₂O)
• bp: 167 °C/1013 hPa
• mp: 78 °C
• transition temp: flash point 100 °C
• solubility: 7.7 g/L
• application(s): liquid formulation; ophthalmics; pharmaceutical
• storage temp.: 15-25°C
• 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

Finding the right excipient that matches your needs as well as regulatory demands can be a complicated challenge in formulation. With our application know-how and regulatory expertise, we support you in every step of development, scale-up, and production.
As part of our Emprove^® Program, our raw materials are offered with extensive documentation facilitating compliance of your pharma and biopharma product, full supply chain transparency and risk mitigation. Our SAFC^® portfolio of high-quality products for biopharmaceutical and pharmaceutical formulation and production withstands strict quality control procedures and is produced according to applicable cGMP guidelines.

Application

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) is typically used as a preservative in pharmaceutical formulations. It has antimicrobial properties and is active against bacteria and fungi.

Legal Information

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

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

Disclaimer

The substance 1.01005 has no REACH registration because the only supported use is the use in medicinal products for human or veterinary use or in food or feedingstuffs according to article 2 of the REACH Regulation (EC) No 1907/2006.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• 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