(E)-3-(3-((4-Chlorophenoxy)methyl)-4-methoxyphenyl)acrylic acid CAS 512809-94-8
| CAS No. | 512809-94-8 |
| Molecular Formula | C17H15ClO4 |
| Molecular Weight | 318.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (E)-3-(3-((4-Chlorophenoxy)methyl)-4-methoxyphenyl)acrylic acid.
CATO supplies (E)-3-(3-((4-Chlorophenoxy)methyl)-4-methoxyphenyl)acrylic acid (CAS 512809-94-8), a certified reference material (molecular formula C17H15ClO4, MW 318.75 g/mol) for analytical method development and quality control.
Structurally, (E)-3-(3-((4-Chlorophenoxy)methyl)-4-methoxyphenyl)acrylic acid (C17H15ClO4) contains a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 318.75 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 Formula | C17H15ClO4 |
| Molecular Weight | 318.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
Related E Standards
- (2E)-3-[4-(2-Chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid (CAS 338403-65-9)
- (E)-3-(4-(4-chlorophenoxy)-3-nitrophenyl)acrylic acid (CAS 338403-63-7)
- 3-[4-(3-Chlorophenoxy)-3-nitrophenyl]acrylic acid (CAS 338403-64-8)
- 6-((2-Chlorophenoxy)(phenyl)methyl)morpholin-3-one (CAS 93886-33-0)
- 6-((4-Chlorophenoxy)(phenyl)methyl)morpholin-3-one (CAS 93886-37-4)
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Recommended Standards
- (3-((6-Chloropyridin-2-yl)oxy)phenyl)(morpholino)methanone (CAS 866150-73-4)
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- 1-(4-Chlorophenyl)-6,7-dimethoxyisochroman-3-one (CAS 167475-75-4)
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- Boc-Gly-OH-2-<SUP>13</SUP>C,<SUP>15</SUP>N (CAS 145143-01-7)
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- Semaglutide impurity 63 (CAS CATO-C4X-222663)
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