3-[(2,2-디메틸-1-옥소부틸)티오]프로판산메틸에스테르

Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate

HCID 44237239CAS 938063-63-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(C)(C)C(=O)SCCC(=O)OC
InChIKey: OSAXTZWRAGDRFI-UHFFFAOYSA-N
분자식: C10H18O3S
평균 분자량: 218.32 g/mol
단동위원소 질량: 218.09766544

이름 및 식별자

우선 이름: Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate
IUPAC: methyl 3-(2,2-dimethylbutanoylsulfanyl)propanoate
현지명: 3-[(2,2-디메틸-1-옥소부틸)티오]프로판산메틸에스테르
영어명: 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
분자식: C10H18O3S
분자량: 218.31

이름 및 동의어

Methyl 3-((2,2-dimethylbutanoyl)thio)propanoateMethyl 3-[(2,2-dimethylbutanoyl)thio]propanoateMethyl 3-[(2,2-dimethyl-1-oxobutyl)thio]propanoateMethyl 3-((2,2-dimethyl-1-oxobutyl)thio)propanoateRefChem:814706620-518-6938063-63-9methyl 3-(2,2-dimethylbutanoylthio)propanoatemethyl 3-(2,2-dimethylbutanoylsulfanyl)propanoateMFCD22200648DMB-S-MMP3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester

이름 더 보기

3-[(2,2-디메틸-1-옥소부틸)티오]프로판산메틸에스테르butanoyLMethyl 3-(23-((2,2-dimethyL)thio)propanoate2-diMethylbutanoylthio)propanoateDimethylbutyryl-S-Methyl MercaptopropionateAlphatwo Methylisobutyryl-S-Methyl propionateα-Dimethylbutyryl-S-methyl mercaptopropionate

METHYL 3-[(2,2-DIMETHYLBUTANOYL)SULFANYL]PROPANOATEEC 620-518-6SCHEMBL1665086OSAXTZWRAGDRFI-UHFFFAOYSA-NDTXSID4012280033-((2,2-Dimethyl-1-oxobutyl)thio)-propanoic acid methyl esterAKOS024462403DS-8009

데이터베이스 식별자

CAS: 938063-63-9
PubChem CID: 44237239
DTXSID: DTXSID401228003
EC Number: 620-518-6

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 68.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

물리화학적 성질

끓는 점: 281 ℃ · 281℃
밀도: 1.048 · 1.048
증기압: 0.495 Pa · 0.495Pa at 25℃
인화점: 119 ℃ · 119℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
InChI: InChI=1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
InChIKey: OSAXTZWRAGDRFI-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCSC(=O)C(C)(C)CC

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 08-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13459

Hazard Classes and CategoriesAcute Tox. 4 (80%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl esteri belongs to the class of fatty acyl thioesters，it used as reagent in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

심바스타틴,나트륨소금

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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