3-Isopropyl-4-methyl-1-pentyn-3-ol CAS 5333-87-9

Purity 97%+In StockPharmaceutical Standards
CAS No.5333-87-9
Molecular FormulaC48H82O18
Molecular Weight947.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Isopropyl-4-methyl-1-pentyn-3-ol CAS 5333-87-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 947.15 g/mol gives 3-Isopropyl-4-methyl-1-pentyn-3-ol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Isopropyl-4-methyl-1-pentyn-3-ol (CAS 5333-87-9) is a high-purity analytical reference standard with the molecular formula C48H82O18 and a molecular weight of 947.15 g/mol.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system, 3-Isopropyl-4-methyl-1-pentyn-3-ol is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 947.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC48H82O18
Molecular Weight947.15 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958

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