Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아디스산 디트리데킬
아디스산디트리데킬 · 아디스산디트리데킬(DITRIDECYLADIPATE) · 다이트라이데실아디페이트 · DI(트라이데실)아디페이트 · DTDA · Ditridecyladipat · Einecs 241-029-0 · Ditridecyl dimerate
식별자 및 물리적 특성
| CAS No. | 16958-92-2 |
|---|---|
| 분자식 | C32H62O4 |
| 평균 분자량 | 510.8 g/mol |
| 단동위원소 질량 | 510.46481046 g/mol |
| SMILES | CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC |
| InChIKey | LZJUZSYHFSVIGJ-UHFFFAOYSA-N |
| PubChem CID | 85653 |
| EC No. | 241-029-0 |
| DTXSID | DTXSID9027786 |
| 현지명 | 아디스산 디트리데킬 |
화학 및 물리적 성질
| XLogP | 12.8 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 31 |
| 무거운 원자 수 | 36 |
| 형식 전하 | 0 |
| 복잡도 | 421 |
| 물질 분류 | Other Classes -> Esters, Other |
| Polymers | Plastics -> PlasticisersPlastics -> PURPVC (soft) |
| 화장품 | Cosmetic ingredients (Ditridecyl Adipate) -> CIR (Cosmetic Ingredient Review)Emollient |
| Plasticizers | Plasticizer |
| Physical Description | LiquidClear colorless liquid with a mild odor[ExxonMobil MSDS] |
| 녹는점 | 45.9 °C |
| 끓는 점 | 503.0±18.0 °C(Predicted) |
| 밀도 | 0.906±0.06 g/cm3(Predicted) |
| Pour Point | -57 |
| 굴절률 | 1.459 |
| 인화점 | 455 |
| 저장 조건 | Refrigerator |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제피부 컨디셔닝용제 |
| LogP(분배 계수) | 13.177 (est) |
| EPA | Hexanedioic acid, ditridecyl ester (16958-92-2) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | 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 |
| 독성 요약 | 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 |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-18732 |
용도
용도
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.