Thietan-3-yl butyrate CAS 116486-54-5

Purity 97%+In StockPharmaceutical Standards
CAS No.116486-54-5
Molecular FormulaC7H12O2S
Molecular Weight160.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Thietan-3-yl butyrate CAS 116486-54-5 chemical structure

Description

Thietan-3-yl butyrate (CAS 116486-54-5), molecular formula C7H12O2S and molecular weight 160.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Thietan-3-yl butyrate (C7H12O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 160.23 g/mol, it falls into the medium-molecular-weight range.

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 FormulaC7H12O2S
Molecular Weight160.23 g/mol
Purity97%+
StorageStore at 2-8°C
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1990
Sulfur Atoms1

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