化工社化工社 化学情報印刷レポート · 研究参考用
ジトリデシル＝アジパート
ジトリデシル＝アジパート · 2-ニトロ-5-[({4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}メチル)ジスルファニル]安息香酸 · 2-ニトロ-5-[[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンジル]ジチオ]安息香酸 · DTDA · Ditridecyladipat · Einecs 241-029-0 · Ditridecyl dimerate · DI(TRIDECYL) ADIPATE
識別子と物理属性
| CAS No. | 16958-92-2 |
|---|---|
| 分子式 | C32H62O4 |
| 平均分子量 | 510.8 g/mol |
| 単同位体質量 | 510.46481046 g/mol |
| SMILES | CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC |
| InChIKey | LZJUZSYHFSVIGJ-UHFFFAOYSA-N |
| PubChem CID | 85653 |
| EC No. | 241-029-0 |
| DTXSID | DTXSID9027786 |
| 現地名 | ジトリデシル＝アジパート |
化学・物理的性質
| XLogP | 12.8 |
|---|---|
| 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 | 31 |
| 重原子数 | 36 |
| 形式電荷 | 0 |
| 複雑度 | 421 |
| 物質分類 | Other Classes -> Esters, Other |
| Polymers | Plastics -> PlasticisersPlastics -> PURPVC (soft) |
| 化粧品 | Cosmetic ingredients (Ditridecyl Adipate) -> CIR (Cosmetic Ingredient Review)Emollient |
| Plasticizers | Plasticizer |
| Physical Description | LiquidClear colorless liquid with a mild odor[ExxonMobil MSDS] |
| 融点 | 45.9 °C |
| 沸点 | 503.0±18.0 °C(Predicted) |
| 密度 | 0.906±0.06 g/cm3(Predicted) |
| Pour Point | -57 |
| 屈折率 | 1.459 |
| 引火点 | 455 |
| 貯蔵条件 | Refrigerator |
| 溶解度 | クロロホルム（微量）、メタノール（微量、加温） |
| 外観・状態 | 個体 |
| 色 | ホワイトからオフホワイト |
| 化粧品成分の機能 | 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溶媒 |
| LogP（分配係数） | 13.177 (est) |
| EPAの化学物質情報 | Hexanedioic acid, ditridecyl ester (16958-92-2) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 96.8% (548 of 566) of all reports.Not ClassifiedAggregated GHS information provided per 566 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Hexanedioic acid, ditridecyl esterHexanedioic acid, 1,6-ditridecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-ditridecyl 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: 09-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12530Hexanedioic acid, ditridecyl ester: 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 |
| 有害性の概要 | May cause irritationLow order of toxicity[ExxonMobil MSDS] No mortalities observed in dermal lethal-dose study of rabbitsNo systemic toxicity observed in 13-week dermal study of rats at doses up to 2,000 mg/kg/dayOther category members and supporting chemicals demonstrated effects including histopathological changes of the kidney and liver, changes in enzyme activities, lesions of heart, kidney, and liver in repeated-dose oral and dermal studiesDevelopmental toxicity at or below doses maternally toxicNo effects to gonadsNo evidence of mutagenicity[EPA ChAMP: Screening Level Hazard Characterization: Diesters] This document also reviews several other diesters in Haz-Map: Di-2-ethylhexyl maleate, Diisooctyl adipate, Di-2-ethylhexyl azelate, Bis(2-ethylhexyl) sebacate, and Di(2-ethylhexyl) adipate. |
| Hazard Classes and Categories | Not Classified |
| 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 |
| Toxicity Data | LC50 (rat) > 3,200 mg/m3/4hr |
用途
使用
Ditridecyl Adipate can be used as a skin conditioning or fragrance ingredient, plasticizer, solvent or emollient in cosmetics. Also used in combination with other compounds as a finisher for texturing of polyester yarns.