化工社化工社 化学情報印刷レポート · 研究参考用
p-ノニルフェノール
p-ノニルフェノール · 4-ノニルフェノール · パラ-ノニルフェノール · 4-n-ノニルフェノール · 4-ノニルフエノール · 4-N-ノニルフェノール標準品 · 4ノニルフエノル · 4‐N‐ノニルフェノール標準品

識別子と物理属性
| CAS No. | 104-40-5 |
|---|---|
| 分子式 | C15H24O |
| 平均分子量 | 220.35 g/mol |
| 単同位体質量 | 220.18271539 g/mol |
| SMILES | CCCCCCCCCc1ccc(O)cc1 |
| InChIKey | IGFHQQFPSIBGKE-UHFFFAOYSA-N |
| PubChem CID | 1752 |
| ChEMBL | CHEMBL153062 |
| ChEBI | CHEBI:34440 |
| EC No. | 203-199-4 |
| DTXSID | DTXSID5033836 |
| 現地名 | p-ノニルフェノール |
化学・物理的性質
| XLogP | 5.9 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 8 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 148 |
| 物質分類 | Other Classes -> PhenolsWaste-water effluent contaminant |
| 脂質 | Lipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl phenols and derivatives [PK1501] |
| SpringerMaterials Properties | Boiling point |
| Surfactants | Surfactant |
| LogP(分配係数) | log Kow = 5.76 |
| 密度 | 0.950 g/cu cm at 20 °C0.937 g/mL at 25 °C(lit.) |
| Color/Form | Viscous, yellow liquid |
| 溶解度 | In water, 7 mg/L at 25 °CInsoluble in waterSoluble in benzene, carbon tetrachloride, heptane0.007 mg/mL at 25 °C25°C でわずかに溶けます (0.020 g/L)。6.35mg/L(25℃) |
| 引火点 | 113 °C (235 °F) - closed cup>230 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 317 °CPale-yellow, viscous liquidslight phenolic odor. Specific gravity: 0.950 at 20 °C/20 °C. BP: 293 °C. FP: -10 °C (sets to glass below this temperature). Viscosity: 563 cP at 20 °C... Insoluble in watersoluble in most organic solvents /Nonylphenol, 25154-52-3/293-297 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| 融点 | 43-44°C |
| 蒸気圧 | 0.109Pa at 25℃ |
| 屈折率 | n20/D 1.511(lit.) |
| 貯蔵条件 | APPROX 20°C |
| pKa(酸解離定数) | 10.15±0.15(Predicted) |
| 色 | 無色透明 |
| 比重 | ~1.057 |
| 臭い | フェノール様 |
| BRN | 2047450 |
| ヘンリー定数 | 2.9×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 誘電率 | 5.2000000000000002 |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| 主な用途 | 農業環境 |
| 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 |
| SMILES | CCCCCCCCCc1ccc(O)cc1 |
| LogP(分配係数) | 5.76 |
| CAS データベース | 104-40-5(CAS DataBase Reference) |
| EPAの化学物質情報 | p-Nonylphenol (104-40-5) |
化学的特性
viscous colourless liquid with a phenol-like smell
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 67.6% (447 of 661) of all reports.DangerH302 (32.2%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 661 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phenol, 4-nonyl-Hazard Traits - Endocrine ToxicitySP - indicates a substance that is identified in a proposed Significant New Use Rule.Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17497Substance: p-nonylphenolPhenol, 4-nonyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | IMAP assessments - Nonylphenols: Human health tier II assessment |
| 有害性の概要 | Reproductive effects include developmental abnormalities of the urogenital tract[RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| TSCA 要件 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 3/29/96Reporting date: 5/29/96.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 4-Nonylphenol is included on this list. Effective date: 3/29/96Sunset date: 6/30/98. |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides. |
用途
用途
環境試料中の内分泌攪乱物質の分析(HPLC)用標準品、GC-MS分析標準品。
用途
ノニオン性界面活性剤の一種であるノニルフェノールエトキシレート(ノニルフェノールとエチレンオキシドを反応させると得られる)やゴム用老化防止剤、酸化防止剤のTNPP(Tris(nonyl phenyl)phosphite)の原料として用いられる。
使用
4-nonylphenol is used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.