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chlorobutanol hydrate
1,1,1-trichloro-2-methylpropan-2-ol hydrate (2:1)

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CAS Number: 6001-64-5Picture of molecule3D/inchi
FDA UNII: 3X4P6271OX
Molecular Weight:372.92512000
Formula:C8 H16 Cl6 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:preservatives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 167.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.574000 mmHg @ 25.00 °C. (est)
Flash Point: 143.00 °F. TCC ( 61.80 °C. ) (est)
logP (o/w): 2.074 (est)
Soluble in:
 water, 3385 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
ECSA Chemicals
CHLOROBUTANOL HEMIHYDRATE ERBAPHARM 5 KG
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
Glentham Life Sciences
Chlorobutanol
Indis NV
For experimental / research use only.
Chlorobutanol Hemihydrate
Penta International
CHLOROBUTANOL HYDROUS NF GRADE
Penta International
CHLOROBUTANOL HYDROUS
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
preservatives
Recommendation for chlorobutanol hydrate usage levels up to:
 not for fragrance use.
 
Recommendation for chlorobutanol hydrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ClinicalTrials.gov:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5284505
National Institute of Allergy and Infectious Diseases:Data
1,1,1-trichloro-2-methylpropan-2-ol;hydrate
Chemidplus:0006001645
RTECS:UC0175000 for cas# 6001-64-5
 
References:
 1,1,1-trichloro-2-methylpropan-2-ol;hydrate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5284505
Pubchem (sid):135262726
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.50.5000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 chlorobutanol hemihydrate
2-propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1)
1,1,1-trichloro-2-methyl-2-propanol hemihydrate
1,1,1-trichloro-2-methyl-2-propanol hydrate
1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1)
1,1,1-trichloro-2-methylpropan-2-ol hydrate (2:1)
1,1,1-trichloro-2-methylpropan-2-ol;hydrate
bis(1,1,1-trichloro-2-methylpropan-2-ol) hydrate
 
 
Notes:
None found
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