ChemicalBook--->CAS DataBase List--->504-02-9

504-02-9

504-02-9 Structure

504-02-9 Structure
IdentificationMore
[Name]

1,3-Cyclohexanedione
[CAS]

504-02-9
[Synonyms]

1,3-CYCLOHEXANEDIONE
CHD
CYCLOHEXANE-1,3-DIONE
DIHYDRORESORCINOL
1,3-Benzenediol, dihydro-
1,3-Cyclohexandione
Hydroresorcinol
Resorcinol, dihydro-
1,3-CYCHEXANEDIONE
1,3-cycloadipic ketone
1,3-CYCLOHEXANEDIONE, FOR FLUORESCENCE
1,3-Cyclohexanedione, 97+%
1,3-Cyclohexanedione,98%
1,3-CYCLOHEXANONE
1,3-Dioxocyclohexane
1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl
1,3-Cyclohexanedione [for HPLC Labeling]
1,3-Diketocyclohexane
Dihydroresorcin
[EINECS(EC#)]

207-980-0
[Molecular Formula]

C6H8O2
[MDL Number]

MFCD00001585
[Molecular Weight]

112.13
[MOL File]

504-02-9.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow to beige powder
[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. ]

2-8°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]

504-02-9(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

GV0350000
[F ]

8-21
[TSCA ]

Yes
[HS Code ]

29142900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Resorcinol
[Preparation Products]

2-Oxo-(2H)-furo(2,3-h)-1-benzopyran-->Ondansetron-->Sethoxydim-->5-(2-ETHYLTHIO PROPYL)-1,3-CYCLOHEXANEDIONE-->1,2,3,9-Tetrahydro-4(H)-carbazol-4-one-->3-METHOXY-2-CYCLOHEXEN-1-ONE-->4-acetylbutyric acid-->3-ETHOXY-2-CYCLOHEXEN-1-ONE-->3-AMINO-2-CYCLOHEXEN-1-ONE-->4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid-->6,7-Dihydro-4(5H)-benzofuranone-->2-(2-OXO-2-PHENYL-ETHYL)-CYCLOHEXANE-1,3-DIONE-->2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE-->2H-3,7a-Methanobenzofuran-4(5H)-one, tetrahydro-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dihydroresorcinol(504-02-9).msds
Hazard InformationBack Directory
[Chemical Properties]

pale yellow to beige powder
[Uses]

Nitisinone intermediate.
[Definition]

ChEBI: A cyclohexanedione carrying oxo substituents at positions 1 and 3.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 30, p. 3206, 1965 DOI: 10.1021/jo01020a506
[Purification Methods]

Crystallise the dione from *benzene. Dissolve ~50g of the diol in 140mL of *C6H6 under N2, cool, collect the solid and dry it in a vacuum desiccator overnight. It is unstable and should be stored under N2 or Ar at ~0o. [Thompson Org Synth Coll Vol III 278 1955, Beilstein 7 IV 1985.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Cyclohexanedione(504-02-9)MS
1,3-Cyclohexanedione(504-02-9)1HNMR
1,3-Cyclohexanedione(504-02-9)13CNMR
1,3-Cyclohexanedione(504-02-9)IR1
1,3-Cyclohexanedione(504-02-9)IR2
1,3-Cyclohexanedione(504-02-9)IR3
1,3-Cyclohexanedione(504-02-9)IR
1,3-Cyclohexanedione(504-02-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Cyclohexanedione, 97%(504-02-9)
[Alfa Aesar]

1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl(504-02-9)
[Sigma Aldrich]

504-02-9(sigmaaldrich)
[TCI AMERICA]

1,3-Cyclohexanedione,>97.0%(GC)(T)(504-02-9)
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