6-Methylphthalide

HCID 638756

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基本情報

CAS: 72985-23-0
標準SMILES: Cc1ccc2c(c1)C(=O)OC2
InChIKey: YNXGZAZFHFMWPY-UHFFFAOYSA-N
分子式: C9H8O2
平均分子量: 148.16 g/mol
単同位体質量: 148.0524295

名称と識別子

優先名称: 6-Methylphthalide
IUPAC: 6-methyl-3H-2-benzofuran-1-one
英語名: 1(3H)-Isobenzofuranone,6-methyl-(9CI)
分子式: C9H8O2
分子量: 148.16

名称と別名

72985-23-06-Methylphthalide6-methyl-1,3-dihydro-2-benzofuran-1-oneDTXSID00348595RefChem:544013DTXCID30299667852-376-86-Methylisobenzofuran-1(3H)-one6-methyl-3H-2-benzofuran-1-one1(3H)-isobenzofuranone, 6-methyl-MFCD125472996-METHYL-1(3H)-ISOBENZOFURANONE

名称をさらに表示

6-methyl-3H-2-benzofuran-l-one1(3H)-Isobenzofuranone,6-methyl6-methyl-2-isobenzofuran-1(3H)-one6-Methylisobenzofuran-1(3H)-one B1(3H)-Isobenzofuranone,6-methyl-(9CI)

6-methyl-2-benzofuran-1(3H)-oneSCHEMBL2257538AKOS022717687F13924EN300-5133115Z1255391985YSZC19096-Methylphthalid

データベース識別子

CAS: 72985-23-0
PubChem CID: 638756
DTXSID: DTXSID00348595
EC Number: 852-376-8
Nikkaji: J730.658J

物性

構造計算による物性

XLogP: 1.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 176

物理化学的性質

融点: 71 · 71-73 °C(Solv: ligroine (8032-32-4))
沸点: 332.5 · 332.5±41.0 °C(Predicted)
比重(密度): 1.211 · 1.211±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.