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605-94-7

605-94-7 Structure

605-94-7 Structure
IdentificationMore
[Name]

2,3-Dimethoxy-5-methyl-p-benzoquinone
[CAS]

605-94-7
[Synonyms]

2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
2,3-dimethoxy-5-methyl-2,5-cyclohexadiene-1,4-dione
2,3-DIMETHOXY-5-METHYLBENZOQUINONE
2,3-DIMETHOXY-5-METHYL-P-BENZOQUINONE
2,3-DIMETHOXYL-5-METHYL-1,4-BENZOQUINONE
2,3-DIMETHOXYMETHYLBENZOQUINONE
2,5-CYCLOHEXADIENE-1,4-DIONE, 2,3-DIMETHOXY-5-METHYL-
COENZYME Q
COENZYME Q0
COENZYME Q10
COENZYME QO
DIMETHOXY-5-METHYLBENZOQUINONE, 2,3-
2,3-Dimethoxy-5-methylbenzo-1,4-quinone
2-Methyl-5,6-dimethoxybenzoquinone
Coq0
p-Benzoquinone, 2,3-dimethoxy-5-methyl-
q0
Ubiquinone 0
Ubiquinone q0
2,3-dimethyoxyl-5-methyl-1,4-benzoquinone(coenzyme Q0)
[EINECS(EC#)]

210-100-8
[Molecular Formula]

C9H10O4
[MDL Number]

MFCD00001595
[Molecular Weight]

182.17
[MOL File]

605-94-7.mol
Chemical PropertiesBack Directory
[Appearance]

red or orange crystals or fibres
[Melting point ]

58-60 °C(lit.)
[Boiling point ]

331.4±42.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 0.2 mg/ml
[Water Solubility ]

almost transparency in hot Water
[form ]

Crystalline Powder or Needles
[color ]

Red to orange
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents.
[Sensitive ]

Light Sensitive
[BRN ]

1640422
[InChI]

1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
[InChIKey]

UIXPTCZPFCVOQF-UHFFFAOYSA-N
[SMILES]

COC1=C(OC)C(=O)C(C)=CC1=O
[CAS DataBase Reference]

605-94-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-(605-94-7)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

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

2
[F ]

8-10-21
[HS Code ]

29146990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzoic acid, 2-hydroxy-3,4,5-trimethoxy--->4,5-Dimethoxy-3-hydroxytoluene-->2,3,4-Trimethoxyphenol-->2-methoxy-5-methyl-1,4-benzoquinone-->2,3,4-Trimethoxy-6-methylphenol-->2,3,4,5-Tetramethoxytoluene-->Methyl 3,4,5-trimethoxybenzoate-->3,4-Dimethoxytoluene-->3,4,5-Trimethoxytoluene-->2,3,4-Trimethoxybenzaldehyde-->3,4,5-Trimethoxy benzoic acid
[Preparation Products]

Coenzyme Q10-->2,3-Dimethoxy-5-methyl-1,4-hydroquinone
Hazard InformationBack Directory
[Chemical Properties]

red or orange crystals or fibres
[Uses]

2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)
[Definition]

ChEBI: A derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds.
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 16, p. 2343, 1968 DOI: 10.1248/cpb.16.2343
The Journal of Organic Chemistry, 53, p. 5453, 1988 DOI: 10.1021/jo00258a010
[General Description]

2,3-Dimethoxy-5-methyl-p-benzoquinone (Coenzyme Q0 or DMM) is present in all the cells including neural cells.
[Biochem/physiol Actions]

2,3-Dimethoxy-5-methyl-p-benzoquinone (Coenzyme Q0) interacts with tau protein and aids in the formation of filamentous structure.
[Purification Methods]

It crystallises in red needles from pet ether (b 40-60o) and sublimes at high vacuum at a bath temperature of 46-48o [Ashley et al. J Chem Soc 441 1938, UV in EtOH: Vischer J Chem Soc 815 1953, UV in cyclohexane: Morton et al. Helv Chim Acta 41 2343 1858, Aghoramurthy et al. Chem Ind (London) 1327 1954]. [Beilstein 8 IV 2721.]
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-Dimethoxy-5-methyl-p-benzoquinone(605-94-7)MS
2,3-Dimethoxy-5-methyl-p-benzoquinone(605-94-7)1HNMR
2,3-Dimethoxy-5-methyl-p-benzoquinone(605-94-7)13CNMR
2,3-Dimethoxy-5-methyl-p-benzoquinone(605-94-7)IR1
2,3-Dimethoxy-5-methyl-p-benzoquinone(605-94-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3-Dimethoxy-5-methyl-1,4-benzoquinone, 98%(605-94-7)
[Sigma Aldrich]

605-94-7(sigmaaldrich)
[TCI AMERICA]

2,3-Dimethoxy-5-methyl-1,4-benzoquinone,>97.0%(T)(605-94-7)
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