기본 정보
- CAS
67762-64-5- 표준 SMILES
CCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCC- InChIKey
CIPBJDPIFXKOLJ-UHFFFAOYSA-N- 분자식
- C18H34O5
- 평균 분자량
- 330.5 g/mol
- 단동위원소 질량
- 330.24062418
이름 및 식별자
- 우선 이름
- Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
- IUPAC
- [2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate
이름 및 동의어
Trimethylolpropane valerate heptanoate67762-64-5EINECS 267-029-0Heptanoic acid, valeric acid, trimethylolpropane esterEC 267-029-0Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoateRefChem:783701267-029-02-(hydroxymethyl)-2-((pentanoyloxy)methyl)butyl heptanoate2-(hydroxymethyl)-2-[(pentanoyloxy)methyl]butyl heptanoateSCHEMBL2534728CIPBJDPIFXKOLJ-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
67762-64-5- PubChem CID
- 106781
- EC Number
- 267-029-0
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 329
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 99.2% (503 of 507) of all reports.
Not Classified
Aggregated GHS information provided per 507 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate 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: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate (EC: 267-029-0)
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: ACTIVE
관련 반응
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