3- 머 캅토 프로필 트리에 톡시 실란
1-Propanethiol, 3-(triethoxysilyl)-
기본 정보
- CAS
14814-09-6- 표준 SMILES
CCO[Si](CCCS)(OCC)OCC- InChIKey
DCQBZYNUSLHVJC-UHFFFAOYSA-N- 분자식
- C9H22O3SSi
- 평균 분자량
- 238.42 g/mol
- 단동위원소 질량
- 238.10589209
이름 및 식별자
- 우선 이름
- 1-Propanethiol, 3-(triethoxysilyl)-
- IUPAC
- 3-triethoxysilylpropane-1-thiol
- 현지명
- 3- 머 캅토 프로필 트리에 톡시 실란
- 영어명
- 3-Mercaptopropyltriethoxysilane
- 분자식
- C9H22O3SSi
- 분자량
- 238.42
이름 및 동의어
14814-09-6(3-Mercaptopropyl)triethoxysilane1-Propanethiol, 3-(triethoxysilyl)-3-(triethoxysilyl)propane-1-thiol3-(Triethoxysilyl)propanethiolTriethoxy(3-mercaptopropyl)silane(gamma-Mercaptopropyl)triethoxysilaneDTXSID70444793-(Triethoxysilyl)propyl mercaptanEINECS 238-883-1Silane, (3-mercaptopropyl)triethoxy-BRN 2039575
이름 더 보기
3-머캅토프로필트리에톡시실란kh590Mercaptosilane OligomerDK547A-1891DKSI182Dynasylan 3201Co-Formula CFS-0963-MercaptopropyltrieSilane coupling agent KH-5803-(triethoxysilyl)-propanethio
Z069RX894NPropanethiol, 3-(triethoxysilyl)-DTXCID5024479EC 238-883-1RefChem:4361973(Triethoxysilyl)propanethiolPropanethiol, 3(triethoxysilyl)Triethoxy(3mercaptopropyl)silane
데이터베이스 식별자
- CAS
14814-09-6- PubChem CID
- 84658
- DTXSID
DTXSID7044479- ChEMBL
CHEMBL3188191- UNII
- Z069RX894N
- EC Number
- 238-883-1
- Nikkaji
- J227.201F
물성
구조 계산 물성
- 극성 표면적
- 28.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 118
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
물리화학적 성질
- 끓는 점
- 210 °C · 210 °C
- 밀도
- 0.987 g/mL · 0.987 g/mL at 20 °C (lit.)
- 증기압
- 0 · 0-7910Pa at 25℃
- 굴절률
- 1.4331 · 1.4331
- 인화점
- 88 °C · 88°C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.39 · 10.39±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 0.932 · 0.932
- 수용성
- 물에서 천천히 가수분해됩니다.
- BRN
- 2039575 · 2039575
- InChI
- 1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
- InChIKey
- DCQBZYNUSLHVJC-UHFFFAOYSA-N
- SMILES
- CCO[Si](CCCS)(OCC)OCC
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 20.6% (52 of 253) of reports.
Warning
H315 (23.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanethiol, 3-(triethoxysilyl)-
1-Propanethiol, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(triethoxysilyl)- 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: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5391
1-Propanethiol, 3-(triethoxysilyl)-: 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.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 3,000 mg/kg; [RTECS] Slowly hydrolyzed by water; A skin and strong eye irritant; [Alfa Aesar MSDS] See (3-Mercaptopropyl)trimethoxysilane.
Hazard Classes and CategoriesSkin Irrit. 2 (23.7%)
안전 데이터
화학 및 산업
용도 및 제조
UsesUsed as an intermediate, in polymer and tire manufacture, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
1-Propanethiol, 3-(triethoxysilyl)-: ACTIVE
응용 분야
용도It can improve the properties of the mineral-filled elastomer, including modulus, tensile and tear strength, heat buildup, abrasion resistance, resilience. It can be used as a pretreatment on minerals or added at the time of compounding. Mineral-reinforced rubbers such as shoe soles, rollers, wheels, white sidewalls, wire and cable insulation are the common case (3-Mercaptopropyl)triethoxysilane, could be used in. It also finds it uses as an intermediate, in polymer and tire manufacture, and as a laboratory reagent.
상·하류 제품 정보
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