Neodecanoic acid, 1,1'-(dimethylstannylene) ester
기본 정보
- CAS
68928-76-7- 표준 SMILES
CC(C)(C)CCCCCC(=O)[O][Sn]([CH3])([CH3])[O]C(=O)CCCCCC(C)(C)C- InChIKey
FGPCETMNRYMFJR-UHFFFAOYSA-L- 분자식
- C22H44O4Sn
- 평균 분자량
- 491.3 g/mol
- 단동위원소 질량
- 492.226162
이름 및 식별자
- 우선 이름
- Neodecanoic acid, 1,1'-(dimethylstannylene) ester
- IUPAC
- [7,7-dimethyloctanoyloxy(dimethyl)stannyl] 7,7-dimethyloctanoate
- 영어명
- Dimethyldineodecanoatetin
- 분자식
- C22H44O4Sn
- 분자량
- 491.29
이름 및 동의어
Dimethylbis[(1-oxoneodecyl)oxy]stannaneDimethyltindineodecanoateEINECS 273-028-6Dimethylbis((1-oxoneodecyl)oxy)stannaneStannane, dimethylbis((1-oxoneodecyl)oxy)-Stannane, dimethylbis[(1-oxoneodecyl)oxy]-Neodecanoic acid, 1,1'-(dimethylstannylene) esterRefChem:832170Stannane, dimethylbis(1-oxoneodecyl)oxy-273-028-6[7,7-dimethyloctanoyloxy(dimethyl)stannyl] 7,7-dimethyloctanoatedimethyltin dineodecanoate
이름 더 보기
dimethylbis[(1-oxoneodecyl)oxy]-stannanDimethyldineodecanoatetinDimethyltinBis(neodecanoate)Dimethylbis(neodecanoato)tinDIMETHYLDINEODECANOATETIN, tech-DIMETHYLDINEODECANOATETIN (DDDO)DIMETHYLDINEODECANOATETIN, tech-95
SCHEMBL1801292DTXSID50274214bis[(7,7-Dimethyloctanoyl)oxy](dimethyl)stannaneBis[(7,7-dimethyloctanoyl)oxy]di(methyl)stannane
데이터베이스 식별자
- CAS
68928-76-7- PubChem CID
- 16684082
- DTXSID
DTXSID50274214- EC Number
- 273-028-6
물성
구조 계산 물성
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 404
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -6 °C · -6°C
- 밀도
- 1 · 1,14 g/cm3
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.47 · 1.47
- 인화점
- 153 °C · 153°C
- Specific Gravity
- 1.136 · 1.136
- 수용성
- 16.27 μg/L · 16.27μg/L at 25℃
- InChI
- InChI=1S/2C10H20O2.2CH3.Sn/c2*1-4-5-6-7-8-10(2,3)9(11)12;;;/h2*4-8H2,1-3H3,(H,11,12);2*1H3;/q;;;;+2/p-2
- InChIKey
- XKSLFMSMRRTJKN-UHFFFAOYSA-L
- SMILES
- [Sn](C)(C)(OC(=O)C(C)(C)CCCCCC)OC(=O)C(C)(C)CCCCCC
- LogP
- 5.503 · 5.503
- EPA
- Stannane, dimethylbis[(1-oxoneodecyl)oxy]- (68928-76-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 713 reports by companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Stannane, dimethylbis[(1-oxoneodecyl)oxy]-
Neodecanoic acid, 1,1'-(dimethylstannylene) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoic acid, 1,1'-(dimethylstannylene) 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: Dimethylbis[(1-oxoneodecyl)oxy]stannane (EC: 273-028-6)
Stannane, dimethylbis(1-oxoneodecyl)oxy-: 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 InformationIMAP assessments - Stannane, dimethylbis[(1-oxoneodecyl)oxy]-: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (93.8%)
Acute toxicity (ingestion) - category 4
안전 데이터
- tsca
- TSCA listed
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
U.S. Production2023: <75,000 lb
Industry UsesCatalyst
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Neodecanoic acid, 1,1'-(dimethylstannylene) ester: ACTIVE
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