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Chlorobutanol

Names

[ CAS No. ]:
57-15-8

[ Name ]:
Chlorobutanol

[Synonym ]:
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

Biological Activity

[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].

[Related Catalog]:

Research Areas >> Infection
Signaling Pathways >> Anti-infection >> Fungal
Research Areas >> Neurological Disease
Signaling Pathways >> Anti-infection >> Bacterial

[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.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
167.0±0.0 °C at 760 mmHg

[ Melting Point ]:
~78 °C

[ Molecular Formula ]:
C4H7Cl3O

[ Molecular Weight ]:
177.457

[ Flash Point ]:
61.8±25.9 °C

[ Exact Mass ]:
175.956253

[ PSA ]:
49.69000

[ LogP ]:
2.07

[ Vapour Pressure ]:
0.6±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.491

[ Stability ]:
Stable. Generates toxic fumes on combustion.

MSDS

Click to get detail MSDS

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 DATA

ACUTE 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)

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S36/37/39

[ WGK Germany ]:
3

[ HS Code ]:
2905143000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2905143000

Related Compounds

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