triethyl phosphate

• ChemBase编号: 3035
• 分子式: C6H15O4P
• 平均质量: 182.154661
• 单一同位素质量: 182.07079559
• SMILES: P(=O)(OCC)(OCC)OCC
• Canonical SMILES: CCOP(=O)(OCC)OCC
• InChI: InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
• InChIKey: DQWPFSLDHJDLRL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triethyl phosphate
• IUPAC传统名: triethyl phosphate
• 别名: 磷酸乙酯; 磷酸三乙酯; Triethyl Phosphate; TEP; Phosphoric acid triethyl ester; Triethyl phosphate; Ethyl phosphate; Triethylphosphate; Tris(ethyl) phosphate; Triethoxyphosphine oxide

登记号

• CAS号: 78-40-0
• EC号: 201-114-5
• MDL号: MFCD00009077
• Beilstein号: 1705772
• 默克索引号: 149674
• PubChem SID: 24878353; 160966482; 24889379; 46508829
• PubChem CID: 6535
• CHEBI ID: 45927
• Chemspider ID: 6287
• DrugBank ID: DB03347
• 维基百科标题: Triethyl_phosphate

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.1842022
• LogD (pH = 7.4): 1.1842022
• Log P: 1.1842022
• 摩尔折射率: 42.3446 cm^3
• 极化性: 17.253616 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.71
• LOG S: -1.06
• 溶解度: 1.59e+01 g/l

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: Liquid
• 熔点: -56°C; -56.5°C
• 沸点: 215 °C(lit.); 215°C; 215°C
• 闪点: 107 °C; 115°C(240°F); 130 °C; 266 °F
• 自燃点: 845 °F
• 密度: 1.06 g/ml; 1.072; 1.072 g/cm^3; 1.072 g/mL at 25 °C(lit.)
• 折射率: 1.4050; n20/D 1.403(lit.); n20/D 1.407
• 蒸汽压: 1 mmHg ( 40 °C)
• 蒸汽密度: 6.28 (vs air)

安全信息

• RTECS编号: TC7900000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22; R:22
• 安全公开号: 25; S:25
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• NFPA704:
  

  1

  2

  0
• 爆炸极限: 10 %
• GHS危险声明: H302
• GHS警示性声明: P264-P270-P301+P312-P330-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; ≥99.8%; 95+%; 98+%; 99%; 99+%
• 级别: purum; ReagentPlus®
• 线性分子式: (C2H5O)3PO

详细说明

MP Biomedicals - 05225258

MP Biomedicals Rare Chemical collection

DrugBank - DB03347

Drug information: experimental

Sigma Aldrich - 538728

包装
1, 4 L in poly bottle
100 mL in poly bottle
20 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 538728.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.