Methyl 3-(2-furyl)propanoate

HCID 263167CAS 37493-31-5

基本情報

標準SMILES: COC(=O)CCc1ccco1
InChIKey: UXHQPGLQTVKTBI-UHFFFAOYSA-N
分子式: C8H10O3
平均分子量: 154.16 g/mol
単同位体質量: 154.06299418

名称と識別子

優先名称: Methyl 3-(2-furyl)propanoate
IUPAC: methyl 3-(furan-2-yl)propanoate

名称と別名

methyl 3-(2-furyl)propanoate37493-31-5DTXSID50294639RefChem:354636DTXCID60245778methyl 3-(furan-2-yl)propanoateNSC97519methyl 3-(2-furyl)propionate2-(2'-carbomethoxyethyl)furanSCHEMBL5883913SCHEMBL9411147methyl 3-(furan-2-yl)propanate

名称をさらに表示

Methyl 3-(furan-2-yl)propionateUXHQPGLQTVKTBI-UHFFFAOYSA-NNSC-97519AKOS008909720

データベース識別子

CAS: 37493-31-5
PubChem CID: 263167
DTXSID: DTXSID50294639
EC Number: 102-088-7
Nikkaji: J464.789K

物性

構造計算による物性

XLogP: 1
極性表面積: 39.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 133

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.