半水氯丁醇

Description

Chlorobutanol hemihydrate · CAS 6001-64-5 · C4H7Cl3O. UNII HM4YQM8WRC. Boiling Point: 167; Boiling Point: 167 °C; Melting Point: 99.

Identification

CAS Registry Number	6001-64-5
PubChem CID	5977
Molecular formula	C4H7Cl3O
IUPAC name	1,1,1-trichloro-2-methylpropan-2-ol
UNII (FDA)	HM4YQM8WRC

Computed Descriptors

Molecular Weight	177.45
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	175.956248
Monoisotopic Mass	175.956248
Topological Polar Surface Area	20.2
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	167
Boiling Point	167 °C
Melting Point	99
Melting Point	97 °C
Vapor Pressure	0.83 [mmHg]
LogP	log Kow= 2.03
LogP	2.03

Physical description & handling notes

• Colorless to white solid; [Merck Index] Crystalline solid; [MSDSonline]
• NEEDLES (WATER+1)
• Crystals
• COLORLESS TO WHITE
• Colorless to white crystals
• Camphor odor

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Preservative
GHS notification summary	1.5% (1 / 67)

GHS Hazard Classification

GHS notification summary	1.5% (1 / 67)
Reported hazard statements	H302 (94%), H315 (13.4%)

Documented Uses

• Used as a plasticizer for cellulose esters and ethers, in medical practice (preservative, antimicrobial agent, anesthetic in dentistry, sedative and hypnotic, antiemetic), and in veterinary practice (antiseptic, local anesthetic, sedative, antiemetic, antipruritic, and hypnotic); [HSDB]
• Using Disinfectants or Biocides [Category: Clean]
• Plasticizer for cellulose esters and ethers; preservative for biological fluids, hypodermic soln and soln of alkaloids. Pharmaceutical aid (antimicrobial).
• USED IN OPHTHALMIC PREPARATIONS
• Plasticizer for cellulose esters and ethers, preservative for biological fluids and solutions, antimicrobial agent, anesthetic in dentistry.
• Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Synonyms

Chlorobutanol; 57-15-8; Chlorbutol; 1,1,1-trichloro-2-methylpropan-2-ol; 1,1,1-Trichloro-2-methyl-2-propanol; CHLORETONE; Acetone chloroform; Chloreton; Acetonchloroform; Acetochlorone; Clortran; Methaform; Sedaform; Anhydrous chlorobutanol; Coliquifilm; Dentalone

Frequently Asked Questions

What are the CAS number and molecular formula of Chlorobutanol hemihydrate?

CAS 6001-64-5; molecular formula C4H7Cl3O; molecular weight — g/mol.

What other names is Chlorobutanol hemihydrate known by?

Chlorobutanol, 57-15-8, Chlorbutol, 1,1,1-trichloro-2-methylpropan-2-ol, 1,1,1-Trichloro-2-methyl-2-propanol, CHLORETONE.

What is the regulatory status of Chlorobutanol hemihydrate?

Documented regulatory listings: CIR / INCI: Preservative.

Is Chlorobutanol hemihydrate classified as hazardous?

1.5% of GHS notifications report no hazard classification (1 of 67).

What are the key physical properties of Chlorobutanol hemihydrate?

Boiling Point: 167; Boiling Point: 167 °C; Melting Point: 99; Melting Point: 97 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.