2,3-Dimethoxy-5-methyl-1,4-benzoquinone

• CAS: 605-94-7
• Catalog Number: ACM605947
• Category: Other Products
• Molecular Weight: 182.18
• Molecular Formula: C9H10O4
• Synonyms: Coenzyme Qo
• IUPAC Name: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
• Canonical SMILES: CC1=CC(=O)C(=C(C1=O)OC)OC
• InChI: InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
• InChI Key: UIXPTCZPFCVOQF-UHFFFAOYSA-N
• Melting Point: 60 °C
• Appearance: Orange to Amber to Dark red powder to crystal
• Storage: Store under inert gas
• Complexity: 323
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 210-100-8
• Exact Mass: 182.057909g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 13
• LogP: 0.8 (LogP)
• MDL Number: MFCD00001595
• Monoisotopic Mass: 182.057909g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 0.8

Synthetic Use

Upstream Synthesis Route 1

• 6443-69-2

• 605-94-7

Reference: [1]Organic process research and development,2010,vol. 14,p. 1379 - 1384

Downstream Synthesis Route 1

• 605-94-7

• 3066-90-8

Reference: [1]Helvetica Chimica Acta,2005,vol. 88,p. 2575 - 2581

Downstream Synthesis Route 2

• 605-94-7
• 2885-00-9

• 53092-26-5

Reference: [1]Journal of Medicinal Chemistry,1974,vol. 17,p. 893 - 896

* For details of the synthesis route, please refer to the original source to ensure accuracy.