3,3-Dimethylbutanecarbonyl isocyanate CAS 1019114-43-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1019114-43-2
Molecular FormulaC8H13NO2
Molecular Weight155.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,3-Dimethylbutanecarbonyl isocyanate CAS 1019114-43-2 chemical structure

Description

The occurrence of 3,3-Dimethylbutanecarbonyl isocyanate is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3,3-Dimethylbutanecarbonyl isocyanate (CAS 1019114-43-2) is a high-purity analytical reference standard with the molecular formula C8H13NO2 and a molecular weight of 155.19 g/mol.

Structurally, 3,3-Dimethylbutanecarbonyl isocyanate (C8H13NO2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 155.19 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 3,3-Dimethylbutanecarbonyl isocyanate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC8H13NO2
Molecular Weight155.19 g/mol
AppearanceWhite to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1988
Nitrogen Atoms1

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