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Merck
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PHR1545

Chlorobutanol

Pharmaceutical Secondary Standard; Certified Reference Material

Synonym(s):

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, β,β,β-Trichloro-tert-butyl alcohol hemihydrate, Acetone chloroform, Chlorobutanol

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About This Item

Linear Formula:
Cl3CC(CH3)2OH · 0.5H2O
CAS Number:
6001-64-5
Molecular Weight:
186.46
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329823454
EC Number:
249-042-3
Beilstein/REAXYS Number:
878167
MDL number:
MFCD02179352

Key Documents

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InChI key

WRWLCXJYIMRJIN-UHFFFAOYSA-N

InChI

1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2

SMILES string

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

grade

certified reference material, pharmaceutical secondary standard

agency

traceable to USP 1112503

API family

chlorobutanol

CofA

current certificate can be downloaded

packaging

pkg of 1 g

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical (small molecule)

format

neat

storage temp.

2-30°C

Quality Level

300

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General description

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

Application

Chlorobutanol may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations and ophthalmic ointments by various chromatography techniques.
These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Analysis Note

These secondary standards offer multi-traceability to the USP and EP primary standards, where they are available.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
This Certified Reference Material (CRM) is produced and certified in accordance with ISO 17034 and ISO/IEC 17025. All information regarding the use of this CRM can be found on the certificate of analysis.
To see an example of a Certificate of Analysis for this material enter LRAB7819 in the slot below. This is an example certificate only and may not be the lot that you receive.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Determination of chlorobutanol in pharmaceuticals by gas chromatography.
Koshy KT, et al.
Journal of Pharmaceutical Sciences, 56(2), 269-271 (1967)
Analysis of potential genotoxic impurities in pharmaceuticals by two-dimensional gas chromatography with Deans switching and independent column temperature control using a low-thermal-mass oven module.
David F, et al.
Analytical and Bioanalytical Chemistry, 396(3), 1291-1300 (2010)
Analysis of Chlorobutanol in Ophthalmie Ointments and Aqueous Solutions by Reverse-Phase High-Performance Liquid Chromatography.
Dunn DL, et al.
Journal of Pharmaceutical Sciences, 72(3), 277-280 (1983)

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