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%

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1,3-Cyclohexanedione (CAS 504-02-9): Comprehensive Product Guide

Table of Contents

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

  1. Catalytic hydrogenation of resorcinol using Raney nickel (50°C, 70-100 atm H2)
  2. 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

Contact our chemical engineers for formulation support:

Email: info@vivalr.com
Tel: (86) 15866781826

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