2-[2-(4-nonylphenoxy)ethoxy]ethan-1-ol

• ChemBase编号: 137046
• 分子式: C19H32O3
• 平均质量: 308.45558
• 单一同位素质量: 308.23514488
• SMILES: CCCCCCCCCc1ccc(cc1)OCCOCCO
• Canonical SMILES: CCCCCCCCCc1ccc(cc1)OCCOCCO
• InChI: InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
• InChIKey: BLXVTZPGEOGTGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(4-nonylphenoxy)ethoxy]ethan-1-ol
• IUPAC传统名: 2-[2-(4-nonylphenoxy)ethoxy]ethanol
• 别名: 聚氧代乙烯(2)壬基苯基醚，支化; Polyoxyethylene (2) nonylphenyl ether, branched; IGEPAL® CO-210; 2-[2-(4-nonylphenoxy)ethoxy]ethanol; 2-[2-(p-Nonylphenoxy)ethoxy]ethanol; 4-n-Nonylphenol Diethoxylate; Diethylene Glycol Mono-p-nonylphenyl Ether; Diethylene Glycol p-Nonylphenyl Ether; EON 2; 4-Nonyl Phenol Diethoxylate

登记号

• CAS号: 68412-54-4; 20427-84-3
• MDL号: MFCD00134080
• PubChem SID: 24854338; 162231311
• PubChem CID: 24773

理论计算性质

• Acid pKa: 15.121155
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 5.1484675
• LogD (pH = 7.4): 5.1484675
• Log P: 5.1484675
• 摩尔折射率: 91.7062 cm^3
• 极化性: 36.184105 Å^3
• 极化表面积: 38.69 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Pale Yellow Oil
• 闪点: 100 °C; 212 °F
• 密度: 0.96 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.508(lit.)
• 亲水亲油平衡值: 4

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319
• GHS警示性声明: P305 + P351 + P338

药理学性质

• 相关基因信息: rat ... Ar(24208)

产品相关信息

• Mol. Weight: average Mn ~308
• 线性分子式: (C2H4O)n · C15H24O, n~1.5

详细说明

Sigma Aldrich - 238635

法律信息
IGEPAL 注册商标 Rhodia Operations

Toronto Research Chemicals - N650440

Used as analytical standard for environmental analysis. ISO/CD 18857-2 (International Organization for Standardization, Geneva) describes a new international standard method for the determination of octylphenol, nonylphenol, their mono- and diethyoxylates

参考文献

• Kim, Y., et al.: Chemosphere, 54, 1127 (2004)
• Loos, R., et al.: Trends Anal. Chem., 27, 89 (2004)