기본 정보
- 표준 SMILES
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC- InChIKey
LZJUZSYHFSVIGJ-UHFFFAOYSA-N- 분자식
- C32H62O4
- 평균 분자량
- 510.8 g/mol
- 단동위원소 질량
- 510.46481046
이름 및 식별자
- 우선 이름
- Ditridecyl Adipate
- IUPAC
- ditridecyl hexanedioate
- 현지명
- 아디스산 디트리데킬
- 영어명
- DI(TRIDECYL) ADIPATE
- 분자식
- C32H62O4
- 분자량
- 510.83
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
16958-92-2- PubChem CID
- 85653
- DTXSID
DTXSID9027786- UNII
- 7CCE2L906B
- EC Number
- 241-029-0
- Nikkaji
- J125.435I
물성
구조 계산 물성
- XLogP
- 12.8
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 421
실험 및 물리화학적 성질
Polymers
Plastics -> Plasticisers
Plastics -> PUR; PVC (soft)
Cosmetics
Cosmetic ingredients (Ditridecyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical Description
Liquid
Clear colorless liquid with a mild odor; [ExxonMobil MSDS]
물리화학적 성질
- 녹는점
- 45.9 °C · 45.9 °C
- 끓는 점
- 503 · 503.0±18.0 °C(Predicted)
- 밀도
- 0.906 · 0.906±0.06 g/cm3(Predicted)
- Pour Point
- -57 · -57
- 굴절률
- 1.459 · 1.459
- 인화점
- 455 · 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
- 13.177 · 13.177 (est)
- EPA
- Hexanedioic acid, ditridecyl ester (16958-92-2)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.8% (548 of 566) of all reports.
Not Classified
Aggregated GHS information provided per 566 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexanedioic acid, ditridecyl ester
Hexanedioic 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/12530
Hexanedioic acid, ditridecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause irritation; Low order of toxicity; [ExxonMobil MSDS] No mortalities observed in dermal lethal-dose study of rabbits; No systemic toxicity observed in 13-week dermal study of rats at doses up to 2,000 mg/kg/day; Other 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 studies; Developmental toxicity at or below doses maternally toxic; No effects to gonads; No 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.
독성 정보
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-18732
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Ditridecyl Adipate
Used as a lubricant; [ExxonMobil MSDS]
Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
Use Classification
Cosmetics -> Emollient
Plastics -> Polymer Type -> PUR; PVC (soft)
Plastics -> Plasticisers
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Hexanedioic acid, 1,6-ditridecyl ester: ACTIVE
응용 분야
용도Ditridecyl 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.
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