4-nonylphenol

• ChemBase编号: 88241
• 分子式: C15H24O
• 平均质量: 220.35046
• 单一同位素质量: 220.18271539
• SMILES: Oc1ccc(cc1)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCc1ccc(cc1)O
• InChI: InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
• InChIKey: IGFHQQFPSIBGKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-nonylphenol
• IUPAC传统名: 4-nonylphenol
• 别名: 壬基酚; 4-壬基酚; 4-正壬基苯酚; Phenol, nonyl-; 4-Nonylphenol; p-Nonylphenol; para-Nonylphenol; p-n-Nonylphenol; 4-n-Nonylphenol; 1-Nonyl-4-phenol; Nonylphenol; NONYLPHENOL; 4-n-Nonylphenol; 4-Nonylphenol; 1-(4-Hydroxyphenyl)nonane; 4-Non-1-ylphenol; 4-n-Nonylphenol; p-Nonylhenol; 4-n-Nonyl Phenol; p-NP; p-Nonylphenol; p-n-Nonylphenol; 4-Nonyl Phenol

登记号

• CAS号: 25154-52-3; 104-40-5; 84852-15-3
• EC号: 203-199-4; 284-325-5; 246-672-0
• MDL号: MFCD00002396
• Beilstein号: 2047450
• PubChem SID: 24870131; 24857492; 162075229; 24886692; 24868032; 24869660
• PubChem CID: 1752
• CHEBI ID: 34440
• CHEMBL: 153062
• Chemspider ID: 1688
• 维基百科标题: 1-Nonyl-4-phenol

理论计算性质

• Acid pKa: 10.306872
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.7396445
• LogD (pH = 7.4): 5.739116
• Log P: 5.739651
• 摩尔折射率: 69.8881 cm^3
• 极化性: 27.474464 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Pale Brown Low Melting Solid; White crystals
• 熔点: 2°C; 43-45 °C; 43-45°C; 43-45°C; 43-46°C
• 沸点: 127-130°C/27mm; 180-181 °C; 295°C
• 闪点: >110°C; >113 °C; >235.4 °F; 113 °C; 150°C(302°F); 235 °F; 235.4 °F
• 密度: 0.937; 0.937 g/mL at 25 °C(lit.); 0.94; 0.95 g/ml
• 折射率: 1.5110; n20/D 1.511(lit.); n20/D 1.512

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Corrosive
• RTECS编号: SM5600000; SM5630000; SM5650000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2430; 3145; UN2430
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 22-34; 22-34-50/53; 22-34-62-50/53-63; 63-22-34-50/53-62; R:22-34
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-46-60-61; 26-36/37/39-45-60-61; S:26-27/28-36/37/39-46-64
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H314-H361fd-H410; H302-H314-H410; H314-H318-H361-H400-H410-H302
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P280-P305 + P351 + P338-P310-P501
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2430 8/PG 2; UN 3145 8/PG 2

药理学性质

• 相关基因信息: mouse ... Esr1(13982)rat ... Ar(24208)

产品相关信息

• 纯度: ~85% (based on content of p-isomers (mixture of compounds with branched side chain)); 98+%
• 级别: analytical standard; PESTANAL®, analytical standard; technical; technical grade
• 包装: ampule of 100 mg
• 线性分子式: CH3(CH2)8C6H4OH
• Empirical Formula (Hill Notation): C15H24O

详细说明

Sigma Aldrich - 290858

包装
1, 3 L in glass bottle
25 mL in glass bottle

Sigma Aldrich - 46018

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

Sigma Aldrich - 46405

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

Toronto Research Chemicals - N650430

Used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.