ChemicalBook--->CAS DataBase List--->126-81-8

126-81-8

126-81-8 Structure

126-81-8 Structure
IdentificationMore
[Name]

Dimedone
[CAS]

126-81-8
[Synonyms]

5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
5,5-DIMETHYL-1,3-DIOXOCYCLOHEXANE
5,5'-DIMETHYLCYCLOHEXANE-1,3-DIONE
5,5-DIMETHYL-CYCLOHEXANE-1,3-DIONE
5,5-DIMETHYLDIHYDRORESORCINOL
DIMEDON
DIMEDONE
DIMETHYLDIHYDRORESORCINOL
METHONE
1,1-Dimethyl-3,5-cyclohexanedione
1,1-Dimethyl-3,5-diketocyclohexane
1,3-Cyclohexanedione, 5,5-dimethyl-
1,3-Cyclohexanedione,5,5-dimethyl-
3-Cyclohexanedione,5,5-dimethyl-1
5,5-Dimethyl-1,3-cyclohexadione
5,5-Dimethyl-1,3-dihydroresorcinol
5,5-dimethyl-3-cyclohexanedione
5,5-Dimethyldinydroresorcinol
5,5-Dimethylhydroresorcinol
[EINECS(EC#)]

204-804-4
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD00001588
[Molecular Weight]

140.18
[MOL File]

126-81-8.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

146-148 °C (lit.)
[Boiling point ]

216.69°C (rough estimate)
[density ]

1.0373 (rough estimate)
[refractive index ]

1.4787 (estimate)
[storage temp. ]

2-8°C
[solubility ]

4.01g/l
[form ]

Liquid
[pka]

4.8(at 25℃)
[color ]

Clear colorless to yellow
[Stability:]

Stable, but may be light sensitive. Incompatible with strong oxidizing agents.
[Water Solubility ]

0.416 g/100 mL (25 ºC)
[Detection Methods]

HPLC,NMR
[Merck ]

14,3242
[BRN ]

471489
[InChIKey]

BADXJIPKFRBFOT-UHFFFAOYSA-N
[CAS DataBase Reference]

126-81-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Dimedone(126-81-8)
[Storage Precautions]

Light sensitive
[EPA Substance Registry System]

126-81-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

GV0345000
[F ]

8-9
[TSCA ]

Yes
[HS Code ]

29142900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Malonic acid
[Preparation Products]

3,3-Dimethylglutaric acid-->3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE-->5-METHOXY-3-OXOVALERIC ACID METHYL ESTER-->DDE-OH-->2-ACETYLDIMEDONE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5,5-Dimethyl-1,3-cyclohexanedione(126-81-8).msds
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

A mentha compound showing antimicrobial properties against common bacteria in the food industry such as E.coli and P.aeruginosa as well as strains of yeast.
[Uses]

Part of furannulation strategy for the synthesis of naturally occurring fused 3-methylfurans.1
[Uses]

Used in the synthesis of fused 3-methylfurans via furannulation.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 77, p. 6656, 1955 DOI: 10.1021/ja01629a086
Organic Syntheses, Coll. Vol. 2, p. 200, 1943
[General Description]

5,5-dimethyl-1,3-cyclohexanedione (Dimedone) is basically a highly sensitive and very specific reagent used for the determination of aldehydes. It is highly advantageous as it is environment friendly, give high yields and is a simple workup procedure.
[Purification Methods]

Crystallise dimedone from acetone (ca 8mL/g), water or aqueous EtOH. Dry it in air. [Schneider & Todd Org Synth Coll Vol II 200 1943, Beilstein 7 H 559, 7 IV 1999.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dimedone(126-81-8)MS
Dimedone(126-81-8)1HNMR
Dimedone(126-81-8)13CNMR
Dimedone(126-81-8)IR1
Dimedone(126-81-8)IR2
Dimedone(126-81-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5,5-Dimethyl-1,3-cyclohexanedione, 99%(126-81-8)
[Alfa Aesar]

Dimedone, 98%(126-81-8)
[Sigma Aldrich]

126-81-8(sigmaaldrich)
[TCI AMERICA]

Dimedone,>99.0%(T)(126-81-8)
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