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

HCID 69068CAS 605-94-7
Substructure searchFind similar structures

Basic information

Standard SMILES
COC1=C(OC)C(=O)C(C)=CC1=O
InChIKey
UIXPTCZPFCVOQF-UHFFFAOYSA-N
Molecular formula
C9H10O4
Average molar mass
182.17 g/mol
Monoisotopic mass
182.0579088

Overview

Ubiquinone-0 is 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. It has a role as an Escherichia coli metabolite and a human metabolite.

Names & identifiers

Preferred name
2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC
2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
English name
2,3-Dimethoxy-5-methyl-p-benzoquinone
Molecular formula
C9H10O4
Molecular weight
182.17

Names & synonyms

605-94-7Coenzyme Q02,3-Dimethoxy-5-methyl-1,4-benzoquinone2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dioneUbiquinone 0Ubiquinone-0Ubiquinone Q0CoQ0Ubiquinone-OCoenzyme Qo2-Methyl-4,5-dimethoxy-p-quinoneUQ(0) cpd
Show more names
q0COENZYME QUbiquinonl
DTXSID902092422,3-dimethoxy-5-methyl-2,5-cyclohexadiene-1,4-dioneCHEBI:27906RefChem:908653DTXCID10131733210-100-82,3-Dimethoxy-5-methyl-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-

Database identifiers

CAS
605-94-7
PubChem CID
69068
DTXSID
DTXSID90209242
ChEMBL
CHEMBL1812772
ChEBI
CHEBI:27906
EC Number
210-100-8
Nikkaji
J24.264K

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
58 · 58-60 °C(lit.)
Boiling point
331.4 · 331.4±42.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Water Solubility
almost transparency in hot Water
solubility
100 mg/ml; · DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 0.2 mg/ml

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8-10-21
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
hs_code
29146990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)

General Description2,3-Dimethoxy-5-methyl-p-benzoquinone (Coenzyme Q0 or DMM) is present in all the cells including neural cells.

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Additional notes

DefinitionChEBI: 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.

Related reactions

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Linked notes

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