1,2-diethyl benzene-1,2-dicarboxylate

• ChemBase编号: 104521
• 分子式: C12H14O4
• 平均质量: 222.23716
• 单一同位素质量: 222.08920893
• SMILES: CCOC(=O)c1c(cccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccccc1C(=O)OCC
• InChI: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
• InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-diethyl benzene-1,2-dicarboxylate
• IUPAC传统名: diethyl phthalate; DEP
• 别名: 邻苯二甲酸二乙酯; diethyl phthalate; 1,2-Benzenedicarboxylic Acid 1,2-Diethyl Ester; 1,2-Benzenedicarboxylic Acid Diethyl Ester; Phthalic Acid Diethyl Ester; Anozol; Diethyl 1,2-Benzenedicarboxylate; Ethyl Phthalate; NSC 8905; Neantine; Palatinol A; Phthalol; Placidol E; Solvanol; Unimoll DA; o-Benzenedicarboxylic Acid Diethyl Ester; o-Bis(ethoxycarbonyl)benzene; Benzene-1,2-dicarboxylic acid diethyl ester; Diethyl phthalate; PHTHALIC ACID DIETHYL ESTER; DEP; Diethyl phthalate

登记号

• CAS号: 84-66-2
• EC号: 201-550-6
• MDL号: MFCD00009111
• Beilstein号: 1912500
• 默克索引号: 147371
• PubChem SID: 24902063; 24877727; 162091567; 24872103; 24887520; 24874455; 24901926
• PubChem CID: 6781
• CHEBI ID: 34698
• CHEMBL: 388558
• Chemspider ID: 13837303
• KEGG ID: D03804
• 美国药典/FDA物质标识码: UF064M00AF
• 维基百科标题: Diethyl_phthalate

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6938157
• LogD (pH = 7.4): 2.6938157
• Log P: 2.6938157
• 摩尔折射率: 59.6058 cm^3
• 极化性: 22.87356 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1080 mg/L at 25 °C in water
• 外观: APHA: ≤15; colourless, oily liquid
• 熔点: -3 °C(lit.); -64 °C (pour point); -64°C
• 沸点: 295°C; 296-298°C; 298.5 °C at 1013.25 hPa; 298-299 °C(lit.)
• 闪点: 156 °C; 160°C(320°F); 162.9 °C (open cup); 312.8 °F
• 自燃点: 430 °C (DIN 51794); 854 °F
• 密度: 1.1179 g/cm^3 at 20 °C; 1.118; 1.12 g/cm^3 at 20 °C; 1.12 g/mL at 25 °C(lit.)
• 折射率: 1.5020; n20/D 1.502; n20/D 1.502(lit.)
• 蒸汽压: 1 mmHg ( 100 °C); 4.6E-4 hPa at 20 °C
• 蒸汽密度: 7.66 (air = 1); 7.66 (vs air)
• 分配系数: 2.42

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: TI1050000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3082
• 德国WGK号: 2
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 63; R:58-36/37/38
• 安全公开号: 36/37-60; S:20-25-26-37/39-61
• 美国ERG指导号: 171
• TSCA收录: 是
• GHS危险品标识: GHS08
• 主要危害: Toxic
• NFPA704:
  

  1

  1

  0
• 半数致死量: 8600 mg/kg (Rat)
• 爆炸极限: 0.75 %, 187 °F
• GHS危险声明: H361
• GHS警示性声明: P281-P201-P202-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: ≥96.0% (GC); ≥98.0%; ≥99%; ≥99.5%; ≥99.5% (GC); 98%; 99%; 99.5%
• 级别: analytical standard; PESTANAL®, analytical standard; SAJ special grade
• 包装: ampule of 5000 mg
• 杂质: ≤0.18% water
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: C6H4-1,2-(CO2C2H5)2

详细说明

MP Biomedicals - 02156247

Purity: 99%
1 ml = approx. 1.12 g

Sigma Aldrich - W512206

包装
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in comp drum

Sigma Aldrich - 80080

包装
2.5 L in glass bottle

Sigma Aldrich - 524972

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
增塑剂。
包装
1, 4 L in poly bottle
5 mL in glass bottle
100 mL in poly bottle
20 L in steel drum

Sigma Aldrich - 36737

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 53008

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - D444770

A phthalate metabolite with genotoxic effect.

参考文献

• Reyes, F., et al.: J. Clin. Endocrinol. Metab., 37, 74 (1973)
• Engel, S., et al.: Neurotoxicology, 30, 522 (1973)