기본 정보
- CAS
89-04-3- 표준 SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(C(=O)OCCCCCCCC)c1- InChIKey
JNXDCMUUZNIWPQ-UHFFFAOYSA-N- 분자식
- C33H54O6
- 평균 분자량
- 546.8 g/mol
- 단동위원소 질량
- 546.39203944
이름 및 식별자
- 우선 이름
- Tri-n-octyl trimellitate
- IUPAC
- trioctyl benzene-1,2,4-tricarboxylate
- 현지명
- 트라이옥틸트리멜리테이트
- 영어명
- TRIOCTYL TRIMELLITATE
- 분자식
- C33H54O6
- 분자량
- 546.78
이름 및 동의어
89-04-3TRI-N-OCTYL TRIMELLITATETrimex N 08DTXSID00475331,2,4-Benzenetricarboxylic acid, trioctyl esterUNII-9GPJ04URH39GPJ04URH3HSDB 5263EINECS 201-877-4PX 338DTXCID8027533EC 201-877-4
이름 더 보기
트라이옥틸트리멜리테이트trimexn08tri-n-octyltrimellitateTrimellitic acid trioctyl esterTrioctylbenzol-1,2,4-tricarboxylat1,2,4-Benzenetricarboxylicacid,trioctylesterBenzene-1,2,4-tricarboxylic acid trioctyl ester1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester
Benzene tricarboxylic acid, trioctyl ester201-877-4RefChem:190790Trioctyl benzene1,2,4tricarboxylate1,2,4Benzenetricarboxylic acid, trioctyl ester1,2,4Benzenetricarboxylic acid, 1,2,4trioctyl esterTrioctyl benzene-1,2,4-tricarboxylate1,2,4-Trioctyl Ester 1,2,4-Benzenetricarboxylic Acid
데이터베이스 식별자
- CAS
89-04-3- PubChem CID
- 6960
- DTXSID
DTXSID0047533- ChEMBL
CHEMBL3186860- UNII
- 9GPJ04URH3
- EC Number
- 201-877-4
- Nikkaji
- J167.555I
물성
구조 계산 물성
- XLogP
- 11.7
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 634
실험 및 물리화학적 성질
Polymers
Plastics -> Plasticisers
Plastics -> N.a.
Plasticizers
Plastics & Rubber -> Other Plasticizers
Plasticizer
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Collision Cross Section259.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0047533]
물리화학적 성질
- 끓는 점
- 539.71 °C · 539.71°C (rough estimate)
- 밀도
- 1.0152 · 1.0152 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.489 · 1.4890 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색~담황색
- 수용성
- 3.1 ng/L · 3.1ng/L at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (14 of 14) of all reports.
Not Classified
Aggregated GHS information provided per 14 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,2,4-Benzenetricarboxylic acid, trioctyl ester
1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl 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)
REACH registered substance: Trioctyl benzene-1,2,4-tricarboxylate (EC: 201-877-4)
1,2,4-Benzenetricarboxylic acid, trioctyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Trimellitates (high molecular weight)
Hazard Classes and CategoriesNot Classified
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
UsesPlasticizer in vinyl applications; [http://www.neuchem.com/content/view/121/34/]
U.S. Production2023: 97,711 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
Use Classification
Plastics -> Polymer Type -> N.a.
Plastics -> Plasticisers
General Manufacturing Information
Wholesale and Retail Trade
1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester: ACTIVE
응용 분야
용도Isotope labelled 1,2,4-Trioctyl Ester 1,2,4-Benzenetricarboxylic Acid is a widely used and often incorporated in plasticizer for PVC for a higher molecular weight.
공급사8 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.
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