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1.01005

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

EMPROVE® ESSENTIAL, Ph. Eur., BP, JP

Synonym(s):

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, Acetone chloroform, Chlorbutol, Chloretone, Chlorobutanol

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About This Item

Empirical Formula (Hill Notation):
C4H7Cl3O · 0.5H2O
CAS Number:
6001-64-5
Molecular Weight:
186.46
UNSPSC Code:
12352104
EC Index Number:
200-317-6
MDL number:
MFCD02179352
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Quality Level

500

agency

BP, JP, Ph. Eur.

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

SMILES string

ClC(Cl)(Cl)C(O)(C)C.ClC(Cl)(Cl)C(O)(C)C.O

InChI

1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2

InChI key

WRWLCXJYIMRJIN-UHFFFAOYSA-N

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.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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