化工社化工社 化学情報印刷レポート · 研究参考用
アジピン酸ジブチル
アジピン酸ジブチル · ジブチル=アジパート · 実験動物用ダニ忌避剤3 · ヘキサン二酸ジブチル · ジブチルアジペト · ジブチルアジペ-ト · Dibutyl hexanedioate · Cetiol B
識別子と物理属性
| CAS No. | 105-99-7 |
|---|---|
| 分子式 | C14H26O4 |
| 平均分子量 | 258.35 g/mol |
| 単同位体質量 | 258.18310931 g/mol |
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
| PubChem CID | 7784 |
| ChEMBL | CHEMBL3188143 |
| ChEBI | CHEBI:34686 |
| EC No. | 203-350-4 |
| DTXSID | DTXSID2021866 |
| 現地名 | アジピン酸ジブチル |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 極性表面積 | 52.6 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 13 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 202 |
| LogP（分配係数） | 4.17 |
| 密度 | Relative density (water = 1): 0.960.962 g/mL at 25 °C (lit.) |
| 溶解度 | Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)クロロホルム、メタノール（微量）35mg/L at 25℃ |
| 引火点 | 113 °C c.c.>230 °F |
| 沸点 | 183 °C305 °C (lit.) |
| 融点 | -38 °C-32 °C |
| 蒸気密度 | Relative vapor density (air = 1): 8.9 |
| 蒸気圧 | Vapor pressure, Pa at 25 °C: 0.0210.021Pa at 25℃ |
| Physical Description | COLOURLESS LIQUID. |
| Kovats Retention Index | 1731.61754172717331734173017321766 |
| Collision Cross Section | 180.8 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2021866] |
| 屈折率 | n20/D 1.436(lit.) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 油 |
| 色 | 無色 |
| 化粧品成分の機能 | 溶媒皮膚コンディショニング剤 - 保湿剤スキンコンディショニング可塑剤フィルム形成 |
| InChI | 1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3 |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| LogP（分配係数） | 4.007 (est) |
| CAS データベース | 105-99-7(CAS DataBase Reference) |
| NISTの化学物質情報 | Hexanedioic acid, dibutyl ester(105-99-7) |
| EPAの化学物質情報 | Dibutyl adipate (105-99-7) |
化学的特性
It exists as a liquid between its pour point (-32.4 °C) and boiling point (165 °C at 10 mmHg). Its flash point is greater than 230F. Dibutyl adipate is soluble in alcohol and ether and insoluble in water.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 84.9% (146 of 172) of all reports.H411 (14.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 146 of 172 reports by companies.There are 3 notifications provided by 26 of 172 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Hexanedioic acid, dibutyl esterHexanedioic acid, 1,6-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dibutyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5939Dibutyl adipate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 火災危険 | Combustible. |
| UN 分類 | UN Hazard Class: 9UN Pack Group: III |
| EPA Safer Chemical | Chemical: Di-n-butyl adipateGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data. |
| Hazard Classes and Categories | Aquatic Chronic 2 (14.5%)Reproductive toxicity - Category 2Hazardous to the aquatic environment (Acute) - Category 2Hazardous to the aquatic environment (Long-term) - Category 2 |
用途
用途
プラスチック添加剤（可塑剤）、印刷インキ、ゴム添加
使用
Dibutyl adipate is used in cosmetic formulations as a plasticizer, a skin-conditioning agent, and a solvent .
一般的な説明
Dibutyl adipate (DBA) is a plasticizer and a skin conditioning agent in cosmetics that is a mixture of a diester of butyl alcohol and adipic acid. It is soluble in water and organic solvents and does not absorb radiation in the ultraviolet region.