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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

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About This Item

Linear Formula:
Cl3CC(CH3)2OH · 0.5H2O
CAS Number:
6001-64-5
Molecular Weight:
186.46
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329755447
MDL number:
MFCD02179352
Beilstein/REAXYS Number:
878167
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grade

analytical standard

Quality Segment

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

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

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H302

Precautionary Statements

P301 + P312 + P330

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

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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