1-(3-(Butylthio)phenyl)ethan-1-one CAS 1339645-76-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1339645-76-9
Molecular FormulaC12H16OS
Molecular Weight208.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-(Butylthio)phenyl)ethan-1-one CAS 1339645-76-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 208.32 g/mol gives 1-(3-(Butylthio)phenyl)ethan-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(3-(Butylthio)phenyl)ethan-1-one (CAS 1339645-76-9), molecular formula C12H16OS and molecular weight 208.32 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-(3-(Butylthio)phenyl)ethan-1-one (C12H16OS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 208.32 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC12H16OS
Molecular Weight208.32 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Sulfur Atoms1

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