3-エチルベンズアルデヒド

m-Ethylbenzaldehyde

HCID 118623

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 34246-54-3
標準SMILES: CCc1cccc(C=O)c1
InChIKey: LLYXUFQXCNIGDG-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
単同位体質量: 134.07316494

名称と識別子

優先名称: m-Ethylbenzaldehyde
IUPAC: 3-ethylbenzaldehyde
現地名: 3-エチルベンズアルデヒド
英語名: 3-Ethylbenzaldehyde
分子式: C9H10O
分子量: 134.18

名称と別名

3-Ethylbenzaldehyde34246-54-3m-EthylbenzaldehydeDTXSID90187819EINECS 251-896-7RefChem:800365DTXCID00110310251-896-7Benzaldehyde, 3-ethyl-MFCD092634823-Ethyl-benzaldehydeSCHEMBL291613

名称をさらに表示

3-エチルベンズアルデヒド2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid (diphenylmethyl) ester

CL8323AKOS006331230CS-W006593DS-17925EN300-96750Z1198218859m-EthBCP06175

データベース識別子

CAS: 34246-54-3
PubChem CID: 118623
DTXSID: DTXSID90187819
ChEBI: CHEBI:229392
EC Number: 251-896-7
Nikkaji: J287.884D

物性

構造計算による物性

XLogP: 2.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 109

実験および物理化学的性質

Kovats Retention Index1168

物理化学的性質

沸点: 73 °C · 73 °C(Press: 5.5 Torr)
比重(密度): 1.001 · 1.001±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
色: 無色
安定性: 湿気に敏感
LogP: 2.701 · 2.701 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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.；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.