CAS 64859-36-5 3-Tert-butoxybenzaldehyde (HCID 15712224)

基本情報

CAS: 64859-36-5
標準SMILES: CC(C)(C)Oc1cccc(C=O)c1
InChIKey: SKELHDLJYLXUSL-UHFFFAOYSA-N
分子式: C11H14O2
平均分子量: 178.23 g/mol

名称と識別子

優先名称: 3-Tert-butoxybenzaldehyde
IUPAC: 3-[(2-methylpropan-2-yl)oxy]benzaldehyde
英語名: (3-tert-Butoxy)benzaldehyde
分子式: C11H14O2
分子量: 178.23

名称と別名

64859-36-53-TERT-BUTOXYBENZALDEHYDE3-(tert-Butoxy)benzaldehyde(3-tert-butoxy)benzaldehydeMFCD022588423-[(2-Methylpropan-2-yl)oxy]benzaldehyde3-t-butoxybenzaldehydeSCHEMBL2518037SCHEMBL2518040SKELHDLJYLXUSL-UHFFFAOYSA-NAKOS006230726FB66202

名称をさらに表示

3-(tert-Butoxy)3-(1,1-Dimethylethoxy)benzaldehyde3-Tert-Butoxybenzaldehyde(WXC03810)Benzaldehyde, 3-(1,1-dimethylethoxy)-

AS-59181SY016436DB-366615CS-0038890EN300-115342W12441Z1198160195

データベース識別子

CAS: 64859-36-5
PubChem CID: 15712224
EC Number: 885-468-1

物性

構造計算による物性

XLogP: 2.8
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: 3
重原子数: 13
形式電荷: 0
複雑度: 169

物理化学的性質

沸点: 267.2 · 267.2±13.0 °C(Predicted)
比重(密度): 1.02 · 1.020±0.06 g/cm3(Predicted)

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.