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36681

Supelco

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
Beilstein:
878167
MDL number:
MFCD02179352
UNSPSC Code:
41116107
PubChem Substance ID:
329755447
NACRES:
NA.24

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

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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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

212.0 °F - closed cup

Flash Point(C)

100 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

36681-VAR:
36681-1G:
36681-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD9288
BCCC4893
BCBX6019
BCBX4163
BCBV4516

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Sigma-Aldrich

311421

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Freeze?drying above room temperature
Tesconi S.M, et al.
Journal of pharmacopuncture, 88, 501-506 (1999)
Glaucoma E-book (2014)
Małgorzata Jaworska et al.
Journal of separation science, 28(2), 137-143 (2005-03-10)
Preservatives are used to protect pharmaceutical formulations from microbial attack during the period of administration to the patient. Because of their biological activity, preservatives have to be identified and assayed according to the same rules as apply to active components.

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