1,3-Cyclohexanedione

Product Name: 1,3-Cyclohexanedione (CAS NO.504-02-9)

Molecular Formula: C₆H₈O₂
Molecular Weight: 112.13g/mol
Mol File: 504-02-9.mol
EINECS: 207-980-0
Melting Point: 101-105 °C(lit.)
Boiling point: 235.1 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 85.7 °C
Density: 1.127 g/cm³
Water Solubility: soluble
Index of Refraction: 1.473 
Molar Refractivity: 27.93 cm³ 
Molar Volume: 99.4 cm³ 
Surface Tension: 40.5 dyne/cm
Enthalpy of Vaporization: 47.18 kJ/mol
Vapour Pressure: 0.0511 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 1,3-Cyclohexanedione (CAS NO.504-02-9):
  IUPAC Name: cyclohexane-1,3-dione
  Canonical SMILES: C1CC(=O)CC(=O)C1
  InChI: InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 
  InChIKey: HJSLFCCWAKVHIW-UHFFFAOYSA-N
Product Categories: cyclic compounds; ketone; Analytical Chemistry; Carbonyl Group Labeling Reagents for Fluorescence HPLC; Fluorescence Detection (HPLC Labeling Reagents); HPLC Labeling Reagents

 1,3-Cyclohexanedione (CAS NO.504-02-9) is used as an intermediate for pharmaceuticals, herbicides, plant growth regulator and other organic products ( CARVEDILOL, ONDANSETRON, Carazolol, Cilansetron, Sulcotrione, CLETHODIM, Cycloxydim, Mesotrione).

Put CATECHOL and sodium hydroxide solution into potheater, adding the NICKEL catalyst, and reacting 10 to 12 hour at 50 ^°C. After cooling, venting, filtering catalyst with the filtrate concentrated hydrochloric acid, then cold to 0 ^°C, filtered crystallization, or 1,3-cyclohexanedione.

Safety Information of 1,3-Cyclohexanedione (CAS NO.504-02-9):
Safety Statements : 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany : 3
RTECS : GV0350000
F : 8-21

APPEARANCE:Beige Crystalline Powder
ASSAY:96.0% min
WATER:0.1% max

 1,3-Cyclohexanedione , its CAS NO. is 504-02-9, the synonyms are 1,3-Benzenediol, dihydro- ; Resorcinol, dihydro- ;  1,3-Cyclohexanone ; AI3-11062 ; Cyclohexane-1,3-dione ; Dihydroresorcinol .