2,3-디메톡시-5-메틸-p-벤조퀴논

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

HCID 69068CAS 605-94-7

기본 정보

표준 SMILES: COC1=C(OC)C(=O)C(C)=CC1=O
InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

개요

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.

이름 및 식별자

우선 이름: 2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
현지명: 2,3-디메톡시-5-메틸-p-벤조퀴논
영어명: 2,3-Dimethoxy-5-methyl-p-benzoquinone
분자식: C9H10O4
분자량: 182.17

이름 및 동의어

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

이름 더 보기

2,3-디메톡시-5-메틸-p-벤조퀴논q0COENZYME 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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 323

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

물리화학적 성질

녹는점: 58 · 58-60 °C(lit.)
끓는 점: 331.4 · 331.4±42.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
수용성: almost transparency in hot Water
용해도: 100 mg/ml; · DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 0.2 mg/ml
물리적 상태: 결정질 분말 또는 바늘
색상: 빨간색에서 주황색으로
BRN: 1640422 · 1640422
안정성: 안정적인. 타기 쉬운. 강한 산화제, 환원제와 호환되지 않습니다.
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
NIST: 2 · 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-(605-94-7)

화학적 성질

red or orange crystals or fibres

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

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

화학 및 산업

응용 분야

용도2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)

일반 설명2,3-Dimethoxy-5-methyl-p-benzoquinone (Coenzyme Q0 or DMM) is present in all the cells including neural cells.

상·하류 제품 정보

상류 원료

Benzoic acid, 2-hydroxy-3,4,5-trimethoxy-4,5-다이메톡시-3-하이드록시톨루엔 2,3,4-트리메톡시페놀 2-메톡시-5-메틸-1,4-벤조퀴논 2,3,4-트리메톡시-6-메틸페놀 2,3,4,5-테트라메톡시톨루엔 Methyl 3,4,5-trimethoxybenzoate 3,4-Dimethoxytoluene 3,4,5-Trimethoxytoluene 2,3,4-Trimethoxybenzaldehyde 3,4,5-트리메톡시벤조산

하류 제품

유비데카레논 2,3-디메톡시-5-메틸-1,4-하이드로퀴논

공급사50 곳

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]

추가 설명

정의ChEBI: 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.

연결된 노트

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