Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate

HCID 54677706CAS 78376-09-7

基本情報

標準SMILES: COC(=O)C1=C(O)COC1=O
InChIKey: GIWLDPURHIORDX-UHFFFAOYSA-N
分子式: C6H6O5
平均分子量: 158.11 g/mol
単同位体質量: 158.02152329

名称と識別子

優先名称: Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate
IUPAC: methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate

名称と別名

methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate78376-09-7RefChem:816457620-312-64-hydroxy-2-oxo-2,5-dihydro-furan-3-carboxylic acid methyl esterSCHEMBL230467GIWLDPURHIORDX-UHFFFAOYSA-GIWLDPURHIORDX-UHFFFAOYSA-NAKOS024341038NS000409654-(methoxycarbonyl)-5-oxo-2,5-dihydrofuran-3-olmethyl4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate

名称をさらに表示

methyl 4-hydroxy-2-oxo-2,5-dihydro-3-furancarboxylateInChI=1/C6H6O5/c1-10-5(8)4-3(7)2-11-6(4)9/h7H,2H2,1H3

データベース識別子

CAS: 78376-09-7
PubChem CID: 54677706
EC Number: 620-312-6
Nikkaji: J1.855.736C

物性

構造計算による物性

XLogP: 0.2
極性表面積: 72.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 239

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.