기본 정보
- CAS
65870-94-2- 표준 SMILES
CCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C- InChIKey
REYKSYBQEAZBFA-UHFFFAOYSA-N- 분자식
- C33H62O6
- 평균 분자량
- 554.8 g/mol
- 단동위원소 질량
- 554.45463969
이름 및 식별자
- 우선 이름
- 2-Ethyl-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(3,5,5-trimethylhexanoate)
- IUPAC
- 2,2-bis(3,5,5-trimethylhexanoyloxymethyl)butyl 3,5,5-trimethylhexanoate
이름 및 동의어
2-Ethyl-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(3,5,5-trimethylhexanoate)EC 613-848-7Hexanoic acid, 3,5,5-trimethyl-, 1,1'-(2-ethyl-2-(((3,5,5-trimethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl) esterHexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] esterRefChem:471749613-848-765870-94-2SCHEMBL20394238DTXSID00893575REYKSYBQEAZBFA-UHFFFAOYSA-NNS00003958Trimethylolpropane tris(3,5,5-trimethylhexanoate)
이름 더 보기
2,2-Bis{[(3,5,5-trimethylhexanoyl)oxy]methyl}butyl 3,5,5-trimethylhexanoate
데이터베이스 식별자
- CAS
65870-94-2- PubChem CID
- 54263204
- DTXSID
DTXSID00893575- EC Number
- 613-848-7
물성
구조 계산 물성
- XLogP
- 9.9
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 652
실험 및 물리화학적 성질
Physical DescriptionLiquid
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester
Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-ethyl-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(3,5,5-trimethylhexanoate) (EC: 613-848-7)
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
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