2-ethylbenzaldehyde

• ChemBase编号: 146575
• 分子式: C9H10O
• 平均质量: 134.1751
• 单一同位素质量: 134.07316494
• SMILES: CCc1ccccc1C=O
• Canonical SMILES: O=Cc1ccccc1CC
• InChI: InChI=1S/C9H10O/c1-2-8-5-3-4-6-9(8)7-10/h3-7H,2H2,1H3
• InChIKey: NTWBHJYRDKBGBR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethylbenzaldehyde
• IUPAC传统名: 2-ethylbenzaldehyde
• 别名: 2-乙基苯甲醛; o-Ethylbenzaldehyde; 2-Ethylbenzaldehyde; 2-Ethylbenzaldehyde

登记号

• CAS号: 22927-13-5
• MDL号: MFCD02261766
• PubChem SID: 24873998; 162240769
• PubChem CID: 123406

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.6437383
• LogD (pH = 7.4): 2.6437383
• Log P: 2.6437383
• 摩尔折射率: 42.2842 cm^3
• 极化性: 15.840048 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 212 °C(lit.)
• 闪点: >110 °C; >230 °F
• 密度: 1.02 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.538(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95+%
• 线性分子式: C2H5C6H4CHO

详细说明

Sigma Aldrich - 518069

包装
1, 5 g in glass bottle
Application
Reactant for:
• Preparation of potential antibacterial agents1
• Asymmetric addition reactions2
• Solid-phase synthesis of BODIPY dyes and development of an Ig fluorescent sensor3
• Condensation reactions with phenylenediamine or aminothiophenol catalyzed by Mesoporous mixed metal oxide nanocrystals preparaed from aero gel process4

Toronto Research Chemicals - E899750

A volatile derivative of benzaldehyde present in animal-derived food products.

参考文献

• Brahmi, F. et al.: Int. J. Food Sci Technol., 46, 1316 (2011)
• Ohnishi, S. et al.: J. Agric. Food. Sci., 32, 987 (2011)