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101005 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate


Replacement Information

Key Spec Table

CAS #EC NumberHill FormulaMolar MassGrade Value
6001-64-5200-317-6C₄H₇Cl₃O * 0,5 H₂O186.47 g/molPh Eur,BP,JP,NF


Catalogue NumberPackaging Qty/Pack
1010051000 Plastic bottle 1 kg
Catalogue Number101005
SynonymsAcetone chloroform, Chlorbutol, Chloretone, Chlorobutanol
Product Information
CAS number6001-64-5
EC number200-317-6
GradePh Eur,BP,JP,NF
Hill FormulaC₄H₇Cl₃O * 0,5 H₂O
Molar Mass186.47 g/mol
HS Code2905 59 90
Structure formula ImageStructure formula Image
Quality LevelMQ500
Biological Information
Physicochemical Information
Boiling point167 °C (1013 hPa)
Flash point100 °C
Melting Point77 - 79 °C
pH value4.5 - 6 (7.7 g/l, H₂O, 20 °C)
Bulk density730 kg/m3
Solubility7.7 g/l
Materials Information
Toxicological Information
LD 50 oralLD50 Rat 510 mg/kg
LD 50 dermalLD50 Rabbit > 2000 mg/kg
Safety Information according to GHS
Hazard Pictogram(s) Hazard Pictogram(s)
Hazard Statement(s)H302: Harmful if swallowed.
Precautionary Statement(s)P264: Wash skin thoroughly after handling.
P270: Do not eat, drink or smoke when using this product.
P301 + P312: IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell.
P501: Dispose of contents/ container to an approved waste disposal plant.
Signal WordWarning
Storage class10 - 13 Other liquids and solids
WGKWGK 3 highly hazardous to water
Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C.
Safety Information
Categories of dangerharmful
Product Usage Statements
Storage and Shipping Information
StorageStore at +15°C to +25°C.
Packaging Information
Transport Information
Supplemental Information
Assay (argentometric, calc. on anhydrous substance)98.0 - 101.0 %
Assay (GC, calc. on anhydrous substance)98.0 - 100.5 %
Identity (IR-spectrum)passes test
Identity (GC)passes test
Identity (water)passes test
Appearance of solution (500 g/l, Ethanol 96 %)passes test
Acidic substancespasses test
Neutralitypasses test
Chloride (Cl)≤ 100 ppm
Acetone (HS-GC)≤ 0.01 %
Chloroform (HS-GC)≤ 60 ppm
Other residual solvents (ICH Q3C)excluded by production process
Water (according to Karl Fischer)4.5 - 5.5 %
Sulfated ash≤ 0.1 %
Elemental impurity specifications have been set considering ICH Q3D (Guideline for Elemental Impurities). Class 1-3 elements are not likely to be present above the ICH Q3D option 1 limit, unless specified and indicated (*).
Corresponds to Ph Eur, BP, JP, NF
Global Trade Item Number
Catalogue Number GTIN
1010051000 04022536014241


Material Qualification Dossier


Quality Management Dossier (Open Access)


Operational Excellence Dossier


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


Safety Data Sheet (SDS) 

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate Certificates of Analysis

Product Number PackagingSpecificationLot Number
1010051000 Plastic bottlePDF Specification Document