Chlorobutanol information

Chlorobutanol
Names
	Preferred IUPAC name 1,1,1-Trichloro-2-methylpropan-2-ol
	Other names 1,1,1-Trichloro-2-methyl-2-propanol; Chlorbutol; Chloreton; Chloretone; Chlortran; Trichloro-tert-butyl alcohol; 1,1,1-Trichloro-tert-butyl alcohol; 2-(Trichloromethyl)propan-2-ol; tert-Trichlorobutyl alcohol; Trichloro-tert-butanol; Trichlorisobutylalcohol; 2,2,2-Trichloro-1,1-dimethylethanol
Identifiers
CAS Number	57-15-8 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL1439973 ;
ChemSpider	13842993 ;
ECHA InfoCard	100.000.288
EC Number	200-317-6;
KEGG	D01942 ;
PubChem CID	5977;
UNII	HM4YQM8WRC ;
CompTox Dashboard (EPA)	DTXSID1041217 ;
	InChI InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 Key: OSASVXMJTNOKOY-UHFFFAOYSA-N ; InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 Key: OSASVXMJTNOKOY-UHFFFAOYAO;
	SMILES ClC(Cl)(Cl)C(C)(C)O;
Properties
Chemical formula	C4H7Cl3O
Molar mass	177.45 g·mol−1
Appearance	White solid
Odor	Camphor
Melting point	95–99 °C (203–210 °F; 368–372 K)
Boiling point	167 °C (333 °F; 440 K)
Solubility in water	Slightly soluble
Solubility in acetone	Soluble
Pharmacology
ATC code	A04AD04 (WHO)
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Xn
NFPA 704 (fire diamond)	2 1 0
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Chlorobutanol (trichloro-2-methyl-2-propanol) is an organic compound with the formula CCl₃C(OH)(CH₃)₂. The compound is an example of a chlorohydrin. The compound is a preservative, sedative, hypnotic and weak local anesthetic similar in nature to chloral hydrate. It has antibacterial and antifungal properties.^[1] Chlorobutanol is typically used at a concentration of 0.5% where it lends long term stability to multi-ingredient formulations. However, it retains antimicrobial activity at 0.05% in water. Chlorobutanol has been used in anesthesia and euthanasia of invertebrates and fishes.^[2]^[3] It is a white, volatile solid with a camphor-like odor.

^ Noecker, Robert (2001). "Effects of common ophthalmic preservatives on ocular health". Advances in Therapy. 18 (5): 205–215. doi:10.1007/bf02853166. PMID 11783457. S2CID 1455107.
^ W. N. McFarland & G. W. Klontz (1969). "Anesthesia in fishes". Federation Proceedings. 28 (4): 1535–1540. PMID 4894939.
^ John E. Cooper (2011). "Anesthesia, analgesia, and euthanasia of invertebrates". ILAR Journal. 52 (2): 196–204. doi:10.1093/ilar.52.2.196. PMID 21709312.

[1] Noecker, Robert (2001). "Effects of common ophthalmic preservatives on ocular health". Advances in Therapy. 18 (5): 205–215. doi:10.1007/bf02853166. PMID 11783457. S2CID 1455107.

[2] W. N. McFarland & G. W. Klontz (1969). "Anesthesia in fishes". Federation Proceedings. 28 (4): 1535–1540. PMID 4894939.

[3] John E. Cooper (2011). "Anesthesia, analgesia, and euthanasia of invertebrates". ILAR Journal. 52 (2): 196–204. doi:10.1093/ilar.52.2.196. PMID 21709312.

Chlorobutanol information

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ATC code A04

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