5-Chloro-2-(pentyloxy)benzoic acid CAS 27830-14-4
| CAS No. | 27830-14-4 |
| Molecular Formula | C12H15ClO3 |
| Molecular Weight | 242.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Chloro-2-(pentyloxy)benzoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Chloro-2-(pentyloxy)benzoic acid (CAS 27830-14-4), molecular formula C12H15ClO3 and molecular weight 242.70 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Chloro-2-(pentyloxy)benzoic acid (C12H15ClO3) 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 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 242.70 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 5-Chloro-2-(pentyloxy)benzoic acid 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 | C12H15ClO3 |
| Molecular Weight | 242.70 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1964 |
| Halogen Content | Cl-containing |
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- 4-[(4-chloro-2-methylphenyl)amino]benzonitrile (CAS 1039838-86-2)
- 5-Chloro-2-(isopentyloxy)benzoic acid (CAS 1094336-54-5)
- [5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methanol (CAS 1094439-30-1)
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Recommended Standards
- 5-Chloro-2-(m-tolyl)benzofuran (CAS 227802-79-1)
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- 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CAS 893724-17-9)
- 5-Chloro-2-(p-tolyl)benzofuran (CAS 22772-26-5)
- Nalpha-Fmoc-L-glutamic Acid alpha-Benzyl Ester (CAS 122350-52-1)
- (4-methylpyrimidin-2-yl)methanol (CAS 142650-13-3)
- (OC-6-22)-Bis(acetato-κO,κO′)[1,1′-[(1S)-6,6′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis[1,1-diphenylphosphine-κP]]ruthenium (CAS 134527-17-6)
- 5-Bromo-2-O-methyluridine (CAS 34218-83-2)
- 3-(Methylamino)pyridazine-4-carbonitrile (CAS 1256268-95-7)
- 1-Cyclopropyl-N-(2,3-difluorobenzyl)methanamine (CAS 1156587-74-4)
- 8-Benzyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 1225-97-4)
- 1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene (CAS 1736-47-6)
- N-(2-Amino-2-oxoethyl)acrylamide (CAS 2479-62-1)
- Peptide Impurity (CAS CATO-CPTD788810)
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