triacontan-1-ol

• ChemBase编号: 129968
• 分子式: C30H62O
• 平均质量: 438.81268
• 单一同位素质量: 438.4800666
• SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
• InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triacontan-1-ol
• IUPAC传统名: triacontanol
• 别名: 蜂花醇; 三十烷醇; 1-羟基三十烷; Miraculan; NSC 402492; NSC 405588; Nutron; Prosopol; Tomatex; Triacontyl Alcohol; 1-Triacontanol; 1-Triacontanol; 1-Hydroxytriacontane; 1-Triacontanol; n-Triacontanol; Melissyl alcohol; Myricyl alcohol; Triacontanol

登记号

• CAS号: 593-50-0
• EC号: 209-794-5
• MDL号: MFCD00002963
• Beilstein号: 1711965
• PubChem SID: 24900168; 24854271; 162224254
• PubChem CID: 68972
• CHEBI ID: 28409
• CHEMBL: 1079147
• Chemspider ID: 62194
• 美国药典/FDA物质标识码: 767RD0E90B
• 维基百科标题: Triacontanol

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 12.364107
• LogD (pH = 7.4): 12.364107
• Log P: 12.364107
• 摩尔折射率: 141.7609 cm^3
• 极化性: 56.716373 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 28
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Benzene; Ether; Insoluble in water
• 外观: White Solid
• 熔点: 81-82°C; 86-87 °C; 86-87 °C(lit.); 87 °C
• 密度: 0.777 g/mol at 95 °C

安全信息

• 保存条件: Refrigerator
• 德国WGK号: nwg
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥96.0% (GC); ≥98% (capillary GC); 96%
• 线性分子式: CH3(CH2)28CH2OH

详细说明

Sigma Aldrich - 90275

Other Notes
A naturally occurring plant growth regulator1.

Toronto Research Chemicals - T767050

It was reported to be a new naturally occurring plant-growth regulator. Present in plant cuticle waxes and in beeswax as the palmitate.

参考文献

• Farag, R., et al.: J. Food Prot., 52, 665 (1989)
• Cuvelier, M., et al.: J. Agric. Food Chem., 42, 665 (1989)
• Huang, M., et al.: Cancer Res., 54, 701 (1989)
• Offord, E., et al.: Carcinogenesis, 16, 2057 (1989)