2-(4-{2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl}phenoxymethyl)oxirane

• ChemBase编号: 153667
• 分子式: C21H24O4
• 平均质量: 340.41286
• 单一同位素质量: 340.16745925
• SMILES: CC(C)(c1ccc(cc1)OCC1CO1)c1ccc(cc1)OCC1CO1
• Canonical SMILES: CC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)C
• InChI: InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
• InChIKey: LCFVJGUPQDGYKZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-{2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl}phenoxymethyl)oxirane
• IUPAC传统名: bisphenol A diglycidyl ether
• 别名: 2,2-二[4-(氧化缩水甘油)苯基]丙烷; 4,4′-异亚丙基联苯酚二缩水甘油醚; 双酚 A 二缩水甘油醚; 双酚A二缩水甘油醚; 4,4'-(1-Methylethylidene)bisphenol Diglycidyl Ether; 2,2-Bis(4-hydroxyphenyl)propane Diglycidyl Ether; Bisphenol A Diglycidyl Ether; BADGE; D.E.R.™ 332; 2,2-Bis[4-(glycidyloxy)phenyl]propane; 4,4′-Isopropylidenediphenol diglycidyl ether; Bisphenol A diglycidyl ether; Bis(4-glycidyloxyphenyl)propane; 4,4'-Isopropylidenediphenol diglycidyl ether

登记号

• CAS号: 1675-54-3
• EC号: 216-823-5
• MDL号: MFCD00080480
• Beilstein号: 299026
• PubChem SID: 24893755; 162247806; 24849124
• PubChem CID: 2286

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.0192966
• LogD (pH = 7.4): 4.0192966
• Log P: 4.0192966
• 摩尔折射率: 105.7291 cm^3
• 极化性: 37.69117 Å^3
• 极化表面积: 43.52 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO; Ethanol
• 外观: Colorless Oil
• 熔点: 40-44 °C
• 密度: 1.16 g/mL at 25 °C(lit.); 1.17
• 折射率: 1.5730

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• RTECS编号: TX3800000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/38-43
• 安全公开号: 2-28-37/39; 28-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319; H315-H319-H317
• GHS警示性声明: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (HPLC); tech. 80%
• 级别: analytical standard, for food analysis
• 主要成分: Epoxide equivalent weight, 172-176
• Empirical Formula (Hill Notation): C21H24O4

详细说明

Sigma Aldrich - D3415

Biochem/physiol Actions
PPARγ inhibitor that blocks rosiglitazone- and insulin-induced adipogenesis.
Linkage
Epoxy resin often used in conjunction with DER 732 to form blocks of varying strength and hardness.
包装
250 g in poly bottle
法律信息
D.E.R. 商标 The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 15138

Other Notes
该标准品用于测定金属容器内涂层聚合物所释放的有毒单体。1,2,3
法律信息
D.E.R. 商标 The Dow Chemical Company or an affiliated company of Dow

Toronto Research Chemicals - B519500

Bisphenol A derivative. A PPARγ antagonist; exhibits estrogenic activity.

参考文献

• Krishnan, A.V., et al.: Endocrinology, 132, 2279 (1993)
• Steinmetz, R., et al.: Trends Endocrinol. Metab., 9, 124 (1993)
• Petersen, H., et al.: Eur. Food Res. Technol., 216, 355 (1993)