Introduction：Basic information about CAS 57-15-8|Chlorobutanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Chlorobutanol |
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| CAS Number | 57-15-8 | Molecular Weight | 177.457 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 167.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C4H7Cl3O | Melting Point | ~78 °C |
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| MSDS | / | Flash Point | 61.8±25.9 °C |
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Names
| Name | 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate |
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| Synonym | More Synonyms |
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Chlorobutanol BiologicalActivity
| Description | Chlorobutanol is a pharmaceutical preservative with sedative-hypnotic actions. Chlorobutanol is active against a wide variety of Gram-positive and Gram-negative bacteria, and several mold spores and fungi[1][2]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalResearch Areas >>Neurological DiseaseSignaling Pathways >>Anti-infection >>Bacterial |
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| References | [1]. Smoak IW, et al. Chlorobutanol: maternal serum levels and placental transfer in the mouse. Vet Hum Toxicol. 1997 Oct;39(5):287-90. [2]. Friesen WT, et al. The antibacterial stability of chlorobutanol stored in polyethylene bottles. Am J Hosp Pharm. 1971 Jul;28(7):507-12. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 167.0±0.0 °C at 760 mmHg |
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| Melting Point | ~78 °C |
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| Molecular Formula | C4H7Cl3O |
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| Molecular Weight | 177.457 |
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| Flash Point | 61.8±25.9 °C |
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| Exact Mass | 175.956253 |
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| PSA | 49.69000 |
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| LogP | 2.07 |
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| Vapour Pressure | 0.6±0.6 mmHg at 25°C |
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| Index of Refraction | 1.491 |
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| Stability | Stable. Generates toxic fumes on combustion. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UC0175000
- CHEMICAL NAME :
- 2-Propanol, 1,1,1-trichloro-2-methyl-
- CAS REGISTRY NUMBER :
- 57-15-8
- BEILSTEIN REFERENCE NO. :
- 0878167
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C4-H7-Cl3-O
- MOLECULAR WEIGHT :
- 177.46
- WISWESSER LINE NOTATION :
- QX1&1&XGGG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 238 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 213 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - other changes
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 20 umol/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 90,91,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1007 No. of Facilities: 798 (estimated) No. of Industries: 3 No. of Occupations: 13 No. of Employees: 25038 (estimated) No. of Female Employees: 21000 (estimated)
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . |
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| Safety Phrases | S26-S36/37/39 |
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| WGK Germany | 3 |
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| HS Code | 2905143000 |
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Customs
Synonyms
| tert-Trichlorobutyl alcohol |
| MFCD00004461 |
| 1,1,1-Trichloro-2-methylpropan-2-ol |
| 2-Propanol, 1,1,1-trichloro-2-methyl- |
| chlorobutanol |
| 1,1,1-Trichloro-2-methyl-2-propanol |
| Trichloro-tert-butanol |
| EINECS 200-317-6 |
| Trichloro-t-butyl alcohol |
