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2-trichloromethyl-2-propanol
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.
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 03-21400 CHLOROBUTANOL ANHYDROUS NF
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| 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 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 |