4-methoxyphenol

• ChemBase编号: 69685
• 分子式: C7H8O2
• 平均质量: 124.13722
• 单一同位素质量: 124.0524295
• SMILES: c1(ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)O
• InChI: InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
• InChIKey: NWVVVBRKAWDGAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxyphenol
• IUPAC传统名: methoxyphenol
• 别名: 对羟基苯甲醚; 氢醌单甲醚; 4-甲氧基苯酚; HYDROQUINONE MONOMETHYL ETHER; 4-Hydroxyanisole; 4-MP; HQMME; MEHQ; MQ-F; 4-Methoxyphenol; p-Hydroxyanisole; 4-Methoxyphenol; Hydroquinone monomethyl ether; p-METHOXYPHENOL; ''para''-Guaiacol; Mequinol; 4-Methoxyphenol; p-Methoxyphenol; 1-Hydroxy-4-methoxybenzene; BMS 181158; Hydroquinone Methyl Ether; Leucobasal; Leucodine B; Mechinolum; Mequinol; NSC 4960; Novo-Dermoquinona; PMF; p-Guaiacol; p-Hydroxyanisol; p-Hydroxymethoxybenzene; 4-Hydroxyanisole

登记号

• CAS号: 150-76-5
• EC号: 205-769-8
• MDL号: MFCD00002332
• Beilstein号: 507924
• PubChem SID: 162035411; 24896699; 24878473
• PubChem CID: 9015
• ATC码: D11AX06
• CHEMBL: 544
• Chemspider ID: 8665
• KEGG ID: D04926
• 美国药典/FDA物质标识码: 6HT8U7K3AM
• 维基百科标题: Mequinol
• Medline Plus: a682437

理论计算性质

• Acid pKa: 9.940503
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.5119935
• LogD (pH = 7.4): 1.5107667
• Log P: 1.5120093
• 摩尔折射率: 34.5021 cm^3
• 极化性: 13.446932 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 53 °C (127 °F); 54-56 °C; 55-57 °C(lit.); 55-57°C; 55-58°C; 56-58°C
• 沸点: 243 °C (469 °F); 246 °C (475 °F); 243 °C(lit.); 243°C; 243-246°C
• 闪点: 132 °C; 132°C; 132°C(269°F); 269.6 °F
• 自燃点: 421 °C (790 °F); 789 °F
• 密度: 1.55 at 20 °C (water = 1); 1.550
• 蒸汽压: <0.01 mmHg ( 20 °C); Low, less than 0.0013 kPa (0.01 mm Hg) at 20 °C
• 蒸汽密度: 4.3 (air = 1); 4.3 (vs air)

安全信息

• 保存条件: 2-8°C, Desiccate, Protect from light; Refrigerator
• 保存注意事项: Harmful/Irritant/Moisture Sensitive/Air Sensitive/Light Sensitive/Store under Argon; IRRITANT
• RTECS编号: SL7700000
• 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: 22-36-43; R:22-36-43
• 安全公开号: 24/25-26-37/39-46; S:26-46-24/25-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H317-H319; H302-H319-H317
• GHS警示性声明: P280A-P262-P301+P310-P305+P351+P338-P315; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 作用靶点: Others
• 给药途径: Topical
• 法定药品分级: Rx-only, Unscheduled (US); Unscheduled; Unscheduled (Canada)

产品相关信息

• 纯度: ≥97.0%; ≥98.0% (HPLC); 95+%; 97%; 98%; 98+%; 98-99%; 99%
• 级别: purum; ReagentPlus®; SAJ first grade
• 成盐信息: Free Base
• 杂质: ≤2% hydroquinone dimethyl ether
• 线性分子式: CH3OC6H4OH

详细说明

MP Biomedicals - 02151627

Crystalline
Purity: 98-99%

MP Biomedicals - 05212538

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M18655

包装
1 kg in poly bottle
100, 500 g in poly bottle
5 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

参考文献

• Primary OH groups can be protected as 4-methoxyphenyl ethers by Mitsunobu alkylation. These are stable to aqueous acid or base at 100⁰, high pressure hydrogenation, ozonolysis, LiAlH₄, or Cr(VI) reagents. Deprotection can be effected with CAN: Tetrahedron Lett., 26, 6291 (1985); 29, 1389 (1988), or anodic oxidation: Carbohydr. Res., 277, 321 (1995).
• For a study of the direct dilithiation of alkoxyphenols, see: J. Org. Chem., 55, 3902 (1990).