1,3-Cyclohexanedione , 97% , 504-02-9

Synonym(s):
1,3-Cyclohexanedione;Dihydroresorcinol

CAS NO.：504-02-9

Empirical Formula: C6H8O2

Molecular Weight: 112.13

MDL number: MFCD00001585

EINECS: 207-980-0

PRODUCT Properties

• Melting point: 101-105 °C (lit.)
• Boiling point: 170.05°C (rough estimate)
• Density: 1,1 g/cm³
• vapor pressure: 0.018Pa at 25℃
• refractive index: 1.4576 (estimate)
• storage temp.: Store at +2°C to +8°C.
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Powder
• pka: 5.26(at 25℃)
• color: Pale yellow to beige
• Water Solubility: soluble
• Merck: 14,3178
• BRN: 385888
• LogP: 0.461 at 21.4℃ and pH3.2
• Surface tension: 69.9mN/m at 1.01g/L and 22℃
• CAS DataBase Reference: 504-02-9(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexanedione(504-02-9)
• EPA Substance Registry System: 1,3-Cyclohexanedione (504-02-9)

Description and Uses

1,3-Cyclohexanedione can be used as a building block in the synthesis of:

• 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
• [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.

It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of ?-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H302-H318-H412
• Precautionary statements: P273-P280-P301+P312+P330-P305+P351+P338+P310
• Safety Statements: 24/25
• WGK Germany: 3
• RTECS: GV0350000
• F: 8-21
• TSCA: Yes
• HS Code: 29142900