化工社化工社 化学情報印刷レポート · 研究参考用
フマル酸ビス(2-エチルヘキシル)
フマル酸ビス(2-エチルヘキシル) · フマル酸ジ(2-エチルヘキシル) · (E)-2-ブテン二酸ビス(2-エチルヘキシル) · ジ(2-エチルヘキシル)=フマラート · ジオクチルフマラート · ビス（2-エチルヘキシル）フマレ-ト · ジオクチルフマラト · フマル酸ジオクチル
識別子と物理属性
| CAS No. | 141-02-6 |
|---|---|
| 分子式 | C20H36O4 |
| 平均分子量 | 340.5 g/mol |
| 単同位体質量 | 340.26135963 g/mol |
| SMILES | CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC |
| InChIKey | ROPXFXOUUANXRR-BUHFOSPRSA-N |
| PubChem CID | 5370325 |
| EC No. | 205-448-2 |
| DTXSID | DTXSID2051710 |
| 現地名 | フマル酸ビス(2-エチルヘキシル) |
化学・物理的性質
| XLogP | 6.5 |
|---|---|
| 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 | 16 |
| 重原子数 | 24 |
| 形式電荷 | 0 |
| 複雑度 | 329 |
| 物質分類 | Other Classes -> Esters, Other |
| 化粧品 | Cosmetic ingredients (Diethylhexyl Fumarate) -> CIR (Cosmetic Ingredient Review) |
| 蒸気圧 | 0.000059 [mmHg]0Pa at 20℃ |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Liquid[EPA ChAMP: Screening Level Hazard Characterization] |
| 融点 | −58 °C(lit.) |
| 沸点 | 185 °C / 5mmHg |
| 密度 | 0.94 |
| 屈折率 | n20/D 1.458(lit.) |
| 引火点 | 190 °C |
| 貯蔵条件 | Refrigerator |
| 溶解度 | クロロホルム、メタノール1.19mg/L at 20℃ |
| 外観・状態 | 油 |
| 色 | 無色 |
| 臭い | 透明な流動性液体、マイルドな臭気 |
| 化粧品成分の機能 | スキンコンディショニング皮膚コンディショニング剤 - 保湿剤 |
| LogP（分配係数） | 7.94 |
| CAS データベース | 141-02-6(CAS DataBase Reference) |
| EPAの化学物質情報 | 2-Butenedioic acid (2E)-, bis(2-ethylhexyl) ester (141-02-6) |
化学的特性
Its density and boiling point are 0.942 and 211–220°C, respectively. No other chemical or physical data were found.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 45.7% (306 of 670) of reports.WarningH315 (26.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 670 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 2-Butenedioic acid, (E)-, bis(2-ethylhexyl) esterREACH registered substance: Bis(2-ethylhexyl) fumarate (EC: 205-448-2)2-Butenedioic acid (2E)-, bis(2-ethylhexyl) ester: 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. |
| 有害性の概要 | An optical isomer demonstrates no eye but skin irritation in rabbitsTwo structurally similar compounds cause skin sensitization in guinea pigsExpected to have a low order of reproductive and developmental toxicity from oral exposure, based on a structurally similar compound[EPA ChAMP: Screening Level Hazard Characterization] A skin irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (26.7%) |
| 有害作用 | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | LT0525000 |
| 税関コード | 29171900 |
| 危険文句（R） | 38 |
| 化審法 | (2)-1099 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 24-26-36-24/25 |
用途
用途
接着剤、粘着剤