Chlorobutanol hemihydrate

Names

[ Name ]:
Chlorobutanol hemihydrate

[Synonym ]:
1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
1,1,1-Trichloro-2-methyl-2-propanol hydrate (2:1)
MFCD02179352
1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1)
Chlorobutanol Hemihydrate
1,1,1-Trichloro-2-methylpropan-2-ol hydrate (2:1)
2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1)

Biological Activity

[Description]:

Chlorobutanol hemihydrate is a pharmaceutical preservative with sedative-hypnotic actions. Chlorobutanol hemihydrate is active against a wide variety of Gram-positive and Gram-negative bacteria, and several mold spores and fungi. Chlorobutanol hemihydrate is widely used in food and cosmetic industry[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

[ Boiling Point ]:
167ºC

[ Melting Point ]:
75-79ºC

[ Molecular Formula ]:
C₄H₉Cl₃O₂

[ Molecular Weight ]:
372.929

[ Flash Point ]:
100ºC

[ Exact Mass ]:
369.923065

[ PSA ]:
29.46000

[ LogP ]:
2.06320

[ Appearance of Characters ]:
Crystalline Powder, Crystals and/or Chunks | White to almost white

[ Storage condition ]:
-20°C

[ Stability ]:
Stable. Generates toxic fumes on combustion. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
Slightly soluble in water, very soluble in ethanol (96 per cent), soluble in glycerol (85 per cent). | Soluble in ethanol, ether, chloroform, and glycerol. Insoluble in water.

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UC0175000

Articles

An efficient synthesis of a dual PPAR alpha/gamma agonist and the formation of a sterically congested alpha-aryloxyisobutyric acid via a Bargellini reaction.

J. Org. Chem. 70(21) , 8560-3, (2005)

A practical synthesis of benzisoxazole 1 and its conversion to alpha-aryloxyisobutyric acid 2 using 1,1,1-trichloro-2-methyl-2-propanol (chloretone) was developed. Benzisoxazole 1 was formed in high y...

Application of a capillary electrophoresis method for simultaneous determination of preservatives in pharmaceutical formulations.

J. Sep. Sci. 28(2) , 137-43, (2005)

Preservatives are used to protect pharmaceutical formulations from microbial attack during the period of administration to the patient. Because of their biological activity, preservatives have to be i...

Freeze-drying above room temperature.

J. Pharm. Sci. 88(5) , 501-6, (1999)

This study investigates the use of solid, organic compounds to lyophilize drugs without conventional freeze-drying equipment. The aim of the investigation is to find a pharmaceutically acceptable solv...