4-(3-Acetoxyphenyl)-2-chloro-1-butene CAS 890097-80-0
| CAS No. | 890097-80-0 |
| Molecular Formula | C12H13ClO2 |
| Molecular Weight | 224.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-(3-Acetoxyphenyl)-2-chloro-1-butene (C12H13ClO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 224.68 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(3-Acetoxyphenyl)-2-chloro-1-butene (CAS 890097-80-0) is a high-purity analytical reference standard with the molecular formula C12H13ClO2 and a molecular weight of 224.68 g/mol.
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), 4-(3-Acetoxyphenyl)-2-chloro-1-butene 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 Formula | C12H13ClO2 |
| Molecular Weight | 224.68 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
Related Acetoxyphenyl Standards
- 4-(2-Acetoxyphenyl)-2-chloro-1-butene (CAS 890097-72-0)
- 4-(4-Acetoxyphenyl)-2-aminothiazole (CAS 471911-16-7)
- Ethyl 2-(4-acetoxyphenyl)-2-oxoacetate (CAS 100519-34-4)
- 3-(2-Acetoxyphenyl)-2-chloro-1-propene (CAS 890097-70-8)
- 3-(2-Acetoxyphenyl)propanoic acid (CAS 17123-74-9)
- 3-(3-Acetoxyphenyl)propanoic acid (CAS 60549-42-0)
- 4-(4-Acetoxyphenyl)-2-butanone (CAS 3572-06-3)
- 3-(4-Acetoxyphenyl)acrylic Acid (CAS 15486-19-8)
Recommended Standards
- 4-(2-Chlorophenyl)tetrahydro-2h-pyran-4-carboxaldehyde (CAS 902836-47-9)
- 4-(3-Chlorobut-3-en-1-yl)phenyl acetate (CAS 890097-86-6)
- 4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-carbaldehyde (CAS 902836-60-6)
- 3-Chloro-2-(cyclopropylmethoxy)-5-methylbenzaldehyde (CAS 883520-21-6)
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