2,6-di-tert-butylphenol

• ChemBase编号: 108370
• 分子式: C14H22O
• 平均质量: 206.32388
• 单一同位素质量: 206.16706532
• SMILES: CC(C)(C)c1cccc(c1O)C(C)(C)C
• Canonical SMILES: CC(c1cccc(c1O)C(C)(C)C)(C)C
• InChI: InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
• InChIKey: DKCPKDPYUFEZCP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-di-tert-butylphenol
• IUPAC传统名: 2,6-di-tert-butylphenol
• 别名: 2,6-二-叔-丁基苯酚; 2,6-二叔丁基苯酚; 2,6-Di-tert-butylphenol; 2,6-bis(1,1-dimethylethyl)phenol; dibutylphenol; 2,6-bis(tert-butyl)phenol; and 2,6-di(1,1-dimethylethyl) phenol; 2,6-DTBl; Ethanox 701, Ethyl 701, Ethyl AN 701, Irganox L 140, Isonox 103, TK 12891; 2,6-DI-tert-BUTYLPHENOL

登记号

• CAS号: 128-39-2
• EC号: 204-884-0
• MDL号: MFCD00008820
• Beilstein号: 1841887
• PubChem SID: 162094160; 24893900
• PubChem CID: 31405
• CHEMBL: 281071
• Chemspider ID: 29135
• 维基百科标题: 2,6-Di-tert-butylphenol

理论计算性质

• Acid pKa: 11.261089
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.7597923
• LogD (pH = 7.4): 4.7597337
• Log P: 4.759793
• 摩尔折射率: 65.3707 cm^3
• 极化性: 25.545673 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Low-melting colourless solid
• 熔点: 34-36 °C; 34-37 °C; 34-37 °C(lit.); 35-38°C
• 沸点: 252-253°C; 253 °C; 253 °C(lit.)
• 闪点: 120 °C; 120°C(248°F); 248 °F
• 密度: 0.914
• 蒸汽压: <0.01 mmHg ( 20 °C)

安全信息

• RTECS编号: SK8265000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2430; UN3077
• 德国WGK号: 2
• 联合国危险货物等级: 8; 9
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-51/53; 22-52/53; 38-50/53; R22 R36 R37 R38
• 安全公开号: 26-36-61; 36-57-60; 60-61; S22 S36
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H411-H401; H302-H412; H315-H410
• GHS警示性声明: P273; P273-P264-P270-P301+P312-P330-P501A; P273-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2430 8/PG 3
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... GABRA1(2554)

产品相关信息

• 纯度: ~99% (GC); ≥98.0% (GC); 98%; 99%
• 级别: purum
• 线性分子式: [(CH3)3C]2C6H3OH

详细说明

MP Biomedicals - 05207123

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D48400

包装
1 kg in glass bottle
25, 500 g in glass bottle

Sigma Aldrich - 34800

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

参考文献

• In the presence of KO-t-Bu or KH forms the sterically-hindered base potassium 2,6-di-t-butylphenoxide, which gives superior results to other bases in alkylations employing alkylboranes: J. Am. Chem. Soc., 91, 6852, 6854, 6855 (1969); 92, 1761, 5790 (1970); Synthesis, 427 (1974).
• Widely used antioxidant in fuels, lubricants and polymers.