기본 정보
- 표준 SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C- InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N- 분자식
- C26H50O4
- 평균 분자량
- 426.7 g/mol
- 단동위원소 질량
- 426.37091007
이름 및 식별자
- 우선 이름
- Diisodecyl Adipate
- IUPAC
- bis(8-methylnonyl) hexanedioate
- 현지명
- 다이아이소데실 아디페이트
- 영어명
- DIISODECYL ADIPATE
- 분자식
- C26H50O4
- 분자량
- 426.67
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
142-53-0、27178-16-1- PubChem CID
- 33733
- DTXSID
DTXSID80274202- ChEMBL
CHEMBL3182959- UNII
- 3V0Q382O0P
- EC Number
- 248-299-9
- Nikkaji
- J475.150G
물성
구조 계산 물성
- XLogP
- 9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 366
실험 및 물리화학적 성질
Kovats Retention Index
2745;2745
2782
물리화학적 성질
- 녹는점
- -59 °C · -59°C
- 끓는 점
- 282 °C · 282°C
- 밀도
- 0 · 0,92 g/cm3
- Pour Point
- -72 · -72
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.483 · 1.483
- 인화점
- 229 °C · 229°C
- 용해도
- 헥산, 톨루엔, 에탄올 및 아세톤: 가용성
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- 냄새
- 플라스틱 냄새
- 수용성
- 100 μg/L · 100μg/L at 25℃
- 화장품 원료 기능
- 용제피부 컨디셔닝 - 보습제가소제피부 컨디셔닝
- InChI
- 1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
- InChIKey
- YKGYQYOQRGPFTO-UHFFFAOYSA-N
- SMILES
- CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
- LogP
- 11.06 at · 11.06 at 25℃
- EPA
- Diisodecyl adipate (27178-16-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (245 of 249) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 245 of 249 companies (only 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 249 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 245 of 249 reports by companies.;There are 2 notifications provided by 4 of 249 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.
유해성 정보
Regulatory Information
Chemical: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
규제 정보
Regulatory Information
Chemical: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- nwg
- tsca
- TSCA listed
- rtecs
- AV1485000
- HS 번호
- 29171200
- safety_code
- 24/25
- 기존화학 물질
- KE-00250
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing;Primary Metal Manufacturing;Plastics Product Manufacturing;Custom Compounding of Purchased Resins;Rubber Product Manufacturing;Machinery Manufacturing;Adhesive Manufacturing;All Other Chemical Product and Preparation Manufacturing
Hexanedioic acid, 1,6-diisodecyl ester: ACTIVE
응용 분야
용도Diisodecyl adipate is an adipate-based plasticizer that can be used in the development of biodegradable films using thermoplastic starch and poly(lactic acid). It may be used in the preparation of cellulose triacetate based films for the fabrication of optical devices. Diisodecyl adipate may form a blend with PVC to form polymeric membranes on electrodes for electrochemical applications.
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