chlorobutanol anhydrous
2-trichloromethyl-2-propanol

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  BOC Sciences

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  CODE109841 CODE109841
  Product(s):
  57-15-8 Chlorobutanol Purity >98%

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  Penta International Corporation

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  CODE109841 CODE109841
  Product(s):
  03-21400 CHLOROBUTANOL ANHYDROUS NF

Name: 1,1,1-trichloro-2-methylpropan-2-ol CAS Number: 57-15-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 200-317-6 FDA UNII: HM4YQM8WRC Nikkaji Web: J1.380C MDL: MFCD02179352 XlogP3: 2.00 (est) Molecular Weight: 177.45499000 Formula: C4 H7 Cl3 O BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Category:preservatives   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 97.00 °C. @ 760.00 mm Hg Boiling Point: 167.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.833000 mmHg @ 20.00 °C. (est) Flash Point: 143.00 °F. TCC ( 61.80 °C. ) (est) logP (o/w): 2.030 Soluble in:   water, 3385 mg/L @ 25 °C (est)   water, 8000 mg/L @ 20 °C (exp)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: preservatives   Suppliers: BOC Sciences For experimental / research use only. Chlorobutanol Purity >98% Capot Chemical Chlorobutanol Penta International CHLOROBUTANOL ANHYDROUS NF Sigma-Aldrich For experimental / research use only. 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate PESTANAL®, analytical standard   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: oral-dog LDLo 238 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 8, Pg. 77, 1901. parenteral-frog LDLo 800 mg/kg VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 8, Pg. 77, 1901. oral-rabbit LDLo 213 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 8, Pg. 77, 1901. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: preservatives Recommendation for chlorobutanol anhydrous usage levels up to:   not for fragrance use.   Recommendation for chlorobutanol anhydrous 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 GENetic TOXicology:Search EPA Substance Registry Services (TSCA):57-15-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5977 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 1,1,1-trichloro-2-methylpropan-2-ol Chemidplus:0000057158   References:   1,1,1-trichloro-2-methylpropan-2-ol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 57-15-8 Pubchem (cid): 5977 Pubchem (sid): 134970703   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 CHEMBL: View KEGG (GenomeNet): D01942 HMDB (The Human Metabolome Database): Search ChemSpider: View Wikipedia: View Formulations/Preparations: •chlorobutanol has been widely employed as very effective preservative in eyedrops, usually in 0.5% concn, without producing clinically recognized ocular disturbance, even though applied several times a day for several yr. •chlorobutanol may be anhyd or it may contain up to about 12 mol of water. label shall indicate whether chlorobutanol is anhyd or hydrate. •grade: usp   Potential Blenders and core components note None Found   Potential Uses:   preservatives   Occurrence (nature, food, other):note   not found in nature   Synonyms:   acetone chloroform   chloretone   chlortran 2- propanol, 1,1,1-trichloro-2-methyl-   sedaform   trichlorisobutylalcohol 1,1,1- trichloro-2-methyl-2-propanol   trichloro-2-methylpropan-2-ol 1,1,1- trichloro-2-methylpropan-2-ol   trichloro-tert-butanol   trichloro-tert-butyl alcohol 1,1,1- trichloro-tert-butyl alcohol tert- trichlorobutyl alcohol 2- trichloromethyl-2-propanol   Articles:   None found yet. Try the PubMed Search.

Notes: a colorless to white crystalline compound with a camphoraceous odor and taste. it is a widely used preservative in various pharmaceutical solutions, especially injectables. also, it is an active ingredient in certain oral sedatives and topical anesthetics.