tetradecanal

• ChemBase编号: 108983
• 分子式: C14H28O
• 平均质量: 212.37152
• 单一同位素质量: 212.21401552
• SMILES: CCCCCCCCCCCCCC=O
• Canonical SMILES: CCCCCCCCCCCCCC=O
• InChI: InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
• InChIKey: UHUFTBALEZWWIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetradecanal
• IUPAC传统名: tetradecanal
• 别名: MYRISTIC ALDEHYDE, TRIMER; Myristaldehyde; Myristic aldehyde; n-Tetradecyl aldehyde; Myristyl aldehyde; 1-Tetradecanal; Aldehyde peche; Myristinaldehyde; Myristylaldehyde; NSC 66435; Peach aldehyde; Tetradecanaldehyde; Tetradecyl aldehyde; n-Tetradecanal; n-Tetradecyl aldehyde; Tetradecanal

登记号

• CAS号: 124-25-4
• EC号: 204-692-7
• PubChem SID: 162094663
• PubChem CID: 31291
• Chemspider ID: 29031
• 维基百科标题: Myristyl_aldehyde

理论计算性质

• Acid pKa: 15.555514
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.2088294
• LogD (pH = 7.4): 5.2088294
• Log P: 5.2088294
• 摩尔折射率: 66.9562 cm^3
• 极化性: 26.617151 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; DMSO; Methanol
• 外观: White Semi-Solid

安全信息

• RTECS编号: XB7900000

产品相关信息

• 分类: Genuine Natural Compounds

详细说明

Toronto Research Chemicals - T291440

A major component of the essential oil found in the leaves of Azadirachta indica.

参考文献

• Dastan, D. et al.; J. Essential Oil-Bearing Plants, 13, 357 (2010)