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Home/Compounds/API/Chlorobutanol hemihydrate
C8H16Cl6O3
372.9 g/mol
APIWarning

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

CAS6001-64-5EC611-927-0
Category
API
Compound Class
Alcohol
Primary Use
Pharmaceutical Raw Material

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate is a chemical compound that serves as a pharmaceutical preservative and antiseptic. It consists of two molecules of the active component along with one molecule of water in a hydrate form.

pharmaceutical preservativeantiseptic

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongSame Parent

Chlorobutanol

CAS57-15-8

pharmaceutical intermediate

ReferenceSame Category

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CAS6004-24-6

pharmaceutical raw material

ReferenceSame Category

Sodium taurochenodeoxycholate

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pharmaceutical raw material

ReferenceSame Category

1,25-dihydroxycalciferol

CAS60133-18-8

pharmaceutical raw material

ReferenceSame Category

Gabapentin

CAS60142-96-3

pharmaceutical raw material

Safety Reference

Harmful
Harmful
Warning
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Customs Tariff Classification

The international HS code for 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (CAS 6001-64-5) is 2905.59.

HS code (international, 6-digit)

2905.59

EU CN code (8-digit)

2905 59 98

Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.

Identifiers
IUPAC Name

bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate

InChIKey

WRWLCXJYIMRJIN-UHFFFAOYSA-N

SMILES

CC(C)(C(Cl)(Cl)Cl)O.CC(C)(C(Cl)(Cl)Cl)O.O

Synonyms (20)
  • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, meets analytical specification of Ph.??Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)
  • CHLOROBUTANOL HEMIHYDRATE (EP MONOGRAPH)
  • Chlorobutanol, United States Pharmacopeia (USP)
  • Acetonchloroform hemihydrate
  • CHLOROBUTO HEMIHYDRATE
  • Chlorbutanol Hemihydrate
  • Chlorobutanol hemihydrate
  • Chlorobutanol hemihydrate CRS

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