기본 정보
- CAS
220727-26-4- 표준 SMILES
CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC- InChIKey
JPPLPDOXWBVPCW-UHFFFAOYSA-N- 분자식
- C17H36O4SSi
- 평균 분자량
- 364.6 g/mol
- 단동위원소 질량
- 364.21035716
개요
See also: S-(3-(triethoxysilyl)propyl)octanethioate (annotation moved to).
이름 및 식별자
- 우선 이름
- Octanethioic acid, S-(3-(triethoxysilyl)propyl) ester
- IUPAC
- S-(3-triethoxysilylpropyl) octanethioate
- 현지명
- S-(옥타노일)메르캅토프로필트리에톡시실란
- 영어명
- S-(Octanoyl)mercaptopropyltriethoxysilane
- 분자식
- C17H36O4SSi
- 분자량
- 364.62
이름 및 동의어
S-[3-(triethoxysilyl)propyl] octanethioateOctanethioic acid, S-[3-(triethoxysilyl)propyl] esterOctanethioic acid, S-(3-(triethoxysilyl)propyl) esterS-(3-(triethoxysilyl)propyl) octanethioateRefChem:855959220727-26-4S-(OCTANOYL)MERCAPTOPROPYLTRIETHOXYSILANES-(3-triethoxysilylpropyl) octanethioateMFCD082753503-Octanoylthio-1-propyltriethoxysilaneC17H36O4SSiSCHEMBL75725
이름 더 보기
S-(옥타노일)메르캅토프로필트리에톡시실란NXTNXT SilaneDK673DK969DKSI219A-Link 599DKFELEX0167NXTmomentiveSilquest A-Link 599S-(3-triethoxyslyl)Octanethioate
octanoylthiopropyltriethoxysilaneDTXSID008891353-octanoylthio-l-propyltriethoxysilanes252503-(octanoylthio)-1-propyltriethoxysilaneAS-93324DB-221823NS00113736
데이터베이스 식별자
- CAS
220727-26-4- PubChem CID
- 12135713
- DTXSID
DTXSID00889135- Nikkaji
- J2.098.745F
물성
구조 계산 물성
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 390.2 · 390.2±25.0 °C(Predicted)
- 밀도
- 0 · 0,969 g/cm3
- 증기압
- 0.002 Pa · 0.002Pa at 25℃
- 굴절률
- 1.4515 · 1.4515
- 인화점
- 176 °C · 176°C
- Specific Gravity
- 0.9686 · 0.9686
- 수용성
- 536 μg/L · 536μg/L at 20℃
- InChI
- InChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)22-15-13-16-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
- InChIKey
- JPPLPDOXWBVPCW-UHFFFAOYSA-N
- SMILES
- C(SCCC[Si](OCC)(OCC)OCC)(=O)CCCCCCC
- LogP
- 4.2 at · 4.2 at 20℃
- EPA
- 3 · Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester (220727-26-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester
Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanethioic acid, S-[3-(triethoxysilyl)propyl] 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.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2005-3-3242
화학 및 산업
용도 및 제조
U.S. Production2023: 8,500,000 - <25,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester: ACTIVE
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