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112054

Sigma-Aldrich

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

98%

Synonym(s):

β,β,β-Trichloro-t-butanol, β,β,β-Trichloro-tert-butyl alcohol hemihydrate, Acetone chloroform, Chloretone, 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
EC Number:
249-042-3
MDL number:
MFCD02179352
UNSPSC Code:
12352100
PubChem Substance ID:
24847062
NACRES:
NA.22

Assay

98%

form

solid

mp

77-79 °C (lit.)

SMILES string

O.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

Related Categories

General description

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) converts benzisoxazole to α-aryloxyisobutyric acid. 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) forms eutectic with dimethyl sulfone, which is the most suitable media for freeze-drying due to its high solubilizing ability and a good rate of solvent removal.

Application

1,1,1-Trichloro-2-methyl-2-propanol (chlorobutanol) is a preservative that can be quantified using capillary electrophoretic method.

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

112054-BULK:
112054-10KG:
112054-VAR:
112054-250G:
112054-50G:
112054-500G:

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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M S Tesconi et al.
Journal of pharmaceutical sciences, 88(5), 501-506 (1999-05-07)
This study investigates the use of solid, organic compounds to lyophilize drugs without conventional freeze-drying equipment. The aim of the investigation is to find a pharmaceutically acceptable solvent or solvent combination that is appropriate for freeze-drying on the basis of
Vladimir S Mashanov et al.
Frontiers in zoology, 14, 12-12 (2017-03-03)
Regeneration of the damaged central nervous system is one of the most interesting post-embryonic developmental phenomena. Two distinct cellular events have been implicated in supplying regenerative neurogenesis with cellular material - generation of new cells through cell proliferation and recruitment
Antoni Ivorra
PloS one, 6(8), e23456-e23456 (2011-08-19)
Miniaturization of active implantable medical devices is currently compromised by the available means for electrically powering them. Most common energy supply techniques for implants--batteries and inductive couplers--comprise bulky parts which, in most cases, are significantly larger than the circuitry they
Jared Talbot et al.
The Journal of experimental biology, 214(Pt 7), 1063-1067 (2011-03-11)
Changes in animal behavior resulting from genetic or chemical intervention are frequently used for phenotype characterizations. The majority of these studies are qualitative in nature, especially in systems that go beyond the classical model organisms. Here, we introduce a quantitative
Raymond J Cvetovich et al.
The Journal of organic chemistry, 70(21), 8560-8563 (2005-10-08)
A practical synthesis of benzisoxazole 1 and its conversion to alpha-aryloxyisobutyric acid 2 using 1,1,1-trichloro-2-methyl-2-propanol (chloretone) was developed. Benzisoxazole 1 was formed in high yields by the action of either methanesulfonyl chloride/base upon intermediate oxime 8 or with thionyl chloride/base
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