2,3-Dimethoxy-5-methyl-p-benzochinon

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

HCID 69068CAS 605-94-7

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Grundinformationen

Standard-SMILES: COC1=C(OC)C(=O)C(C)=CC1=O
InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N
Summenformel: C9H10O4
Durchschnittliche Molmasse: 182,17 g/mol
Monoisotopische Masse: 182,0579088

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Lokaler Name: 2,3-Dimethoxy-5-methyl-p-benzochinon
Englischer Name: 2,3-Dimethoxy-5-methyl-p-benzoquinone
Summenformel: C9H10O4
Molmasse: 182.17

Namen und Synonyme

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

Weitere Namen anzeigen

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-

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 323

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60 °C(lit.)
Siedepunkt: 331.4 · 331.4±42.0 °C(Predicted)
Dichte: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Wasserlöslichkeit: almost transparency in hot Water
Löslichkeit: 100 mg/ml; · DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 0.2 mg/ml
Aggregatzustand: Crystalline Powder or Needles
Farbe: Red to orange
BRN: 1640422 · 1640422
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents.
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 Datenbank: 605 · 605-94-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-(605-94-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

F: 8-10-21
wgk: 2
hs_code: 29146990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Benzoic acid, 2-hydroxy-3,4,5-trimethoxy-5,6-Dimethoxy-m-kresol 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-trimethoxybenzoat 4-Methylveratrol 3,4,5-Trimethoxytoluol 2,3,4-Trimethoxybenzaldehyd 3,4,5-Trimethoxy benzoic acid

Nachgelagerte Produkte

Coenzym Q-10 2,3-Dimethoxy-5-methyl-1,4-hydroquinone

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]

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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]

Ergänzende Hinweise

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.