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

• ChemBase编号: 135760
• 分子式: C19H20O4
• 平均质量: 312.3597
• 单一同位素质量: 312.13615912
• SMILES: c1cc(ccc1Cc1ccc(cc1)OCC1CO1)OCC1CO1
• Canonical SMILES: O1CC1COc1ccc(cc1)Cc1ccc(cc1)OCC1OC1
• InChI: InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2
• InChIKey: XUCHXOAWJMEFLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-{[4-(oxiran-2-ylmethoxy)phenyl]methyl}phenoxymethyl)oxirane
• IUPAC传统名: 2-(4-{[4-(oxiran-2-ylmethoxy)phenyl]methyl}phenoxymethyl)oxirane
• 别名: 双酚 F 二缩水甘油醚; 双[4-(氧化缩水甘油)苯基]甲烷; BFDGE; Bisphenol F diglycidyl ether; Bis[4-(glycidyloxy)phenyl]methane; 4,4'-Methylenebisphenol diglycidyl ether; Bis(4-glycidyloxyphenyl)methane; Bis(4-hydroxyphenyl)methane Diglycidyl Ether; Diphenylolmethane diglycidyl ether; para-para-BFDGE; 2,2'-[Methylenebis(4,1-phenyleneoxymethylene)]bisoxirane; Bis[p-(2,3-epoxypropoxy)phenyl]methane; Bisphenol F Diglycidyl Ether (90%)(Mixture of Diastereomers)

登记号

• CAS号: 2095-03-6
• EC号: 218-257-4
• MDL号: MFCD00799483
• Beilstein号: 5349017
• PubChem SID: 162230033
• PubChem CID: 91511

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4322305
• LogD (pH = 7.4): 3.4322305
• Log P: 3.4322305
• 摩尔折射率: 86.211 cm^3
• 极化性: 34.011467 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
• 外观: Clear Colourless Oil
• 熔点: 43-48 °C(lit.)
• 闪点: >110 °C; >230 °F

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3082
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 36/37/38-43-50/53
• 安全公开号: 26-36/37-60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319-H335-H400
• GHS警示性声明: P261-P273-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
• RID/ADR: UN 3082 9/PG 3

产品相关信息

• Empirical Formula (Hill Notation): C19H20O4

详细说明

Toronto Research Chemicals - B519540

Bisphenol F Diglycidyl Ether is an novalac glycidyl ether (NOGE). Bisphenol F Diglycidyl Ether is found in resin used as coatings for food cans. Bisphenol F Diglycidyl Ether is a toxic conatminant with strict limitations on the amount allowed in food prod

参考文献

• García, R.S. et al.: Rap. Chem. Comm., 11, 1569 (2005)
• Cabado, G.C. et al.: Food Chem. Toxicol., 46, 1674 (2005)
• THeobald, A. et al.: Food Add. Contam., 17, 881 (2005)