1,3-Cyclohexanedione Cas 504-02-9
Chemical Name: 1,3-Cyclohexanedione
Synonyms: Cyclohexane-1,3-dione; Dihydroresorcinol; 1,3-Diketocyclohexane; 1,3-cycloadipic ketone; Dimethyl octadecanoate
CAS No.: 504-02-9
Molecular Fomula: C6H8O2
Molecular weight: 112.13
Appearance: White powder
Assay: ≥99.0%
1,3-Cyclohexanedione (CAS 504-02-9): Comprehensive Product Guide
Table of Contents
- Product Overview & Key Specifications
- Comparative Analysis with Related Compounds
- Industrial Applications & Functional Mechanisms
- Synthesis Process & Quality Control
- Application Case Studies
- Client Success Stories
- Technical Consultation & Ordering
1. Product Overview & Key Specifications
| Parameter | Specification |
|---|---|
| CAS Number | 504-02-9 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.13 g/mol |
| Appearance | Beige crystalline powder |
| Melting Point | 101-105°C |
| Boiling Point | 235.1°C at 760 mmHg |
| Density | 1.1 g/cm³ |
| Solubility | Soluble in ethanol, water |
| Flash Point | 85.7°C |
| Storage | 2-8°C in sealed container |
2. Comparative Analysis with Related Compounds
| Compound | CAS | Melting Point | Application |
|---|---|---|---|
| 1,3-Cyclohexanedione | 504-02-9 | 101-105°C | Pharma intermediates |
| Resorcinol | 108-46-3 | 110°C | Resin production |
| 1,4-Cyclohexanedione | 637-88-7 | 315°C | Polymer synthesis |
3. Industrial Applications & Functional Mechanisms
3.1 Pharmaceutical Intermediates
Critical precursor for Ondansetron (anti-emetic drug) and Isopsoralen (psoriasis treatment).
3.2 Agrochemical Synthesis
Key component in Sethoxydim production (post-emergence herbicide).
3.3 Specialty Chemicals
Building block for tetrahydrocarbazolones in dye manufacturing.
4. Synthesis Process & Quality Control
4.1 Production Methodology
- Catalytic hydrogenation of resorcinol using Raney nickel (50°C, 70-100 atm H2)
- Acid precipitation and benzene recrystallization
4.2 Quality Standards
| Test | Specification | Method |
|---|---|---|
| Purity | ≥98% | HPLC |
| Heavy Metals | <10 ppm | ICP-MS |
5. Application Case Studies
5.1 Anticancer Drug Synthesis
Used in 5-step synthesis of Epothilone analogs through Michael addition reactions.
5.2 Herbicide Formulation
Core component in cyclohexanedione-class herbicides showing 98% weed suppression.
6. Client Success Stories
6.1 Shandong Yunnuo Chemical
Annual consumption: 50MT for agricultural chemical production with 99.5% process yield.
6.2 Jiangsu Kangheng Pharma
Implemented in continuous flow synthesis systems for API manufacturing.
7. Technical Consultation & Ordering
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