CAS 217817-01-1 Tos-PEG4-t-butyl ester (HCID 60146205)

基本情報

CAS: 217817-01-1
標準SMILES: Cc1ccc(S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C)cc1
InChIKey: AAQWIVKRAHBPDM-UHFFFAOYSA-N
分子式: C20H32O8S
平均分子量: 432.5 g/mol
単同位体質量: 432.18178898

名称と識別子

優先名称: Tos-PEG4-t-butyl ester
IUPAC: tert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate
英語名: Tos-PEG4-t-butyl ester
分子式: C20H32O8S
分子量: 432.53

名称と別名

Tos-PEG4-t-butyl esterRefChem:898626875-653-5217817-01-1MFCD22201544Tos-PEG3-CH2CH2COOtBuTos-PEG4-t-butyl ester (Tos-PEG4-Boc)1,1-Dimethylethyl 3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]propanoate3-(2-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl estertert-butyl 3-(2-(2-(2-(tosyloxy)ethoxy)ethoxy)ethoxy)propanoatetert-butyl 3-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]propanoatetert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate

名称をさらに表示

Tos-PEG3-COOtBuPropanoic acid, 3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]-, 1,1-dimethylethyl ester

Propanoic acid,3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]-,1,1-dimethylethyl esterTOS-PEG3-T-BUTYLESTERtert-Butyl 3-[2-[2-[2-(Tosyloxy)ethoxy]ethoxy]ethoxy]propanoateTos-PEG4-BocSCHEMBL40180orb1909254AAQWIVKRAHBPDM-UHFFFAOYSA-NDTXSID701120878

データベース識別子

CAS: 217817-01-1
PubChem CID: 60146205
DTXSID: DTXSID701120878
EC Number: 875-653-5

物性

構造計算による物性

XLogP: 1.9
極性表面積: 106 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 16
重原子数: 29
形式電荷: 0
複雑度: 542

物理化学的性質

沸点: 528.5 · 528.5±45.0 °C(Predicted)
比重(密度): 1.154 · 1.154±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: Liquid
色: Colorless to light yellow

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)

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