2,2,6,6-tetramethylheptane-3,5-dione

• ChemBase编号: 8086
• 分子式: C11H20O2
• 平均质量: 184.2753
• 单一同位素质量: 184.14632988
• SMILES: CC(C(=O)CC(=O)C(C)(C)C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)CC(=O)C(C)(C)C
• InChI: InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
• InChIKey: YRAJNWYBUCUFBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,6,6-tetramethylheptane-3,5-dione
• IUPAC传统名: 2,2,6,6-tetramethylheptane-3,5-dione
• 别名: 二叔戊酰甲烷; 2,2,6,6-四甲基-3,5-庚二酮; 2,2,6,6-四甲基-3,5-庚烷二酮; 2,2,6,6-Tetramethyl-3,5-heptanedione; Dipivaloylmethane; 2,2,6,6-Tetramethylheptane-3,5-dione; 2,2,6,6-Tetramethyl-3,5-heptanedione; DIPIVALOYLMETHANE; Dpm-H

登记号

• CAS号: 1118-71-4
• EC号: 214-268-3
• MDL号: MFCD00008848
• Beilstein号: 1447269
• PubChem SID: 24849563; 160971393; 24888745
• PubChem CID: 70700

理论计算性质

• Acid pKa: 8.564002
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9268322
• LogD (pH = 7.4): 3.8984318
• Log P: 3.9272065
• 摩尔折射率: 53.4948 cm^3
• 极化性: 21.132933 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 72-73 °C/6 mmHg(lit.); 72-73°C/6mm; 72-73°C/6mm
• 闪点: 152.6 °F; 67 °C; 67°C; 67°C(152°F)
• 密度: 0.883; 0.883 g/mL at 25 °C(lit.); 0.889
• 折射率: 1.4590; n20/D 1.459; n20/D 1.459(lit.)

安全信息

• 保存注意事项: Harmful/Irritant/Store under Argon
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 23-36-60
• TSCA收录: true; 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H227; H302
• GHS警示性声明: P210-P280-P301+P310-P321-P405-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%; ≥98.0%; ≥98.0% (GC); 95%; 98%; 99+%
• 级别: for GC derivatization
• 线性分子式: (CH3)3CCOCH2COC(CH3)3

详细说明

MP Biomedicals - 05206267

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 155756

包装
5, 25, 100 g in glass bottle
Application
与重金属形成复合物，生成 α-芳基-β-二酮类化合物。1

参考文献

• High purity grade particularly suitable for chemical vapor deposition (CVD) applications.
• The volatile complexes with rare-earth metals are widely used in CVD. For a review of metal alkoxides and ?-diketonates as precursors for oxide and non-oxide thin films, see: Appl. Organomet. Chem., 6, 627 (1992).