CAS 529-84-0 4-Methylesculetin (HCID 5319502)

概要

6,7-dihydroxy-4-methylcoumarin is a hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. It has a role as a hyaluronan synthesis inhibitor, an antioxidant and an anti-inflammatory agent.

名称と識別子

優先名称: 4-Methylesculetin
IUPAC: 6,7-dihydroxy-4-methylchromen-2-one
現地名: 4-メチルエスクレチン
英語名: 4-Methylesculetin
分子式: C10H8O4
分子量: 192.17

名称と別名

4-Methylesculetin529-84-06,7-DIHYDROXY-4-METHYLCOUMARIN4-Methylaesculetin4-Methylesculetol4-Methyl-6,7-dihydroxycoumarin6,7-dihydroxy-4-methylchromen-2-one6,7-Dihydroxy-4-methyl-2H-benzopyran-2-one6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-NSC-688807NSC-11828

名称をさらに表示

4-メチルエスクレチン6,7-ジヒドロキシ-4-メチル-2H-1-ベンゾピラン-2-オン6,7-ジヒドロキシ-4-メチルクマリン4-メチル-6,7-ジヒドロキシ-2H-1-ベンゾピラン-2-オン4-メチル-6,7-ジヒドロキシクマリン6,7-ジヒドロキシ-4-メチル-2H-クロメン-2-オンメチルエスクレチン, 4-Nsc 11828Nsc 688807methylesculetin4-METHYLESCULENTINMETHYLESCULETIN, 4-Esculetin, 4-methyl-

132H8N0A91DTXSID6060187CHEBI:145256RefChem:538675DHMC-6,7DTXCID3041322208-470-06,7-Dihydroxy-4-methyl-2H-chromen-2-one

データベース識別子

CAS: 529-84-0
PubChem CID: 5319502
DTXSID: DTXSID6060187
ChEMBL: CHEMBL313244
ChEBI: CHEBI:145256
UNII: 132H8N0A91
EC Number: 208-470-0
Nikkaji: J11.701C

物性

構造計算による物性

XLogP: 1.5
極性表面積: 66.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 284

実験および物理化学的性質

Collision Cross Section133.95 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 274 · 274-276 °C(lit.)
沸点: 248.14 °C · 248.14°C (rough estimate)
比重(密度): 1.0825 · 1.0825 (rough estimate)
屈折率: 1.444 · 1.4440 (estimate)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: DMF：可溶
酸解離定数(Pka): 8.72 · 8.72(at 25℃)
外見: 粉
色: ライト・ブラウン
BRN: 162550 · 162550
主な用途: エレクトロルミネッセンス素子、フォトレジスト、写真、分析試薬、化粧品、染毛剤、シャンプー、抗酸化剤、降圧剤、抗免疫剤、抗ウイルス剤、多剤耐性（MDR）調節剤、メラニン生合成阻害効果、DNA損傷に対する保護剤、抗変異原性剤、腫瘍細胞特異的細胞毒性の検出、癌細胞に対する抗増殖剤、ヒト膵臓癌細胞活性の分析、軟骨保護剤
LogP: 0.959 · 0.959 (est)
CAS データベース: 529 · 529-84-0(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Methylesculetin (529-84-0)

化学的性質

化学的特性GREY POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23824

2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8
wgk: 2
tsca: TSCA listed
rtecs: GN6384500
hs_code: 29322985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

用途と製造

General Manufacturing Information2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-: INACTIVE

応用分野

使用6,7-Dihydroxy-4-methylcoumarin is suitable as a pH-indicator.

上流・下流製品情報

上流原料

Methyl seven leaf kiosk 1,4-ベンゾキノン

下流製品

スルマリン

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [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]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

化合物ノート

読み込み中…

4-メチルエスクレチン

基本情報

概要