CAS 86734-59-0 3-(Benzyloxy)-2-hydroxybenzaldehyde (HCID 11287616)

基本情報

CAS: 86734-59-0
標準SMILES: O=Cc1cccc(OCc2ccccc2)c1O
InChIKey: IDQPYNNNKOORPJ-UHFFFAOYSA-N
分子式: C14H12O3
平均分子量: 228.24 g/mol
単同位体質量: 228.07864424

名称と識別子

優先名称: 3-(Benzyloxy)-2-hydroxybenzaldehyde
IUPAC: 2-hydroxy-3-phenylmethoxybenzaldehyde
現地名: 2-ヒドロキシ-3-(ベンジルオキシ)ベンズアルデヒド
英語名: 3-(benzyloxy)-2-hydroxybenzaldehyde
分子式: C14H12O3
分子量: 228.24

名称と別名

3-(BENZYLOXY)-2-HYDROXYBENZALDEHYDERefChem:494275832-724-586734-59-03-benzyloxy-2-hydroxy benzaldehydeBenzaldehyde, 2-hydroxy-3-(phenylmethoxy)-2-hydroxy-3-phenylmethoxybenzaldehydeMFCD263851363-benzyloxy-2-hydroxy-benzaldehyde3-benzyloxy-2-hydroxybenzaldehydeSCHEMBL986050SCHEMBL31683746

名称をさらに表示

3-(ベンジルオキシ)-2-ヒドロキシベンズアルデヒド2-ヒドロキシ-3-(ベンジルオキシ)ベンズアルデヒド

DTXSID00461278IDQPYNNNKOORPJ-UHFFFAOYSA-NLDA73459DB-365970EN300-267729G54484A1-06983Z2181947377

データベース識別子

CAS: 86734-59-0
PubChem CID: 11287616
DTXSID: DTXSID00461278
EC Number: 832-724-5
Nikkaji: J1.348.589E

物性

構造計算による物性

XLogP: 2.9
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 236

物理化学的性質

融点: 86 · 86-88 °C(Solv: ethanol (64-17-5))
沸点: 362.2 · 362.2±27.0 °C(Predicted)
比重(密度): 1.238 · 1.238±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.72 · 7.72±0.35(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

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)

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