디메틸3,3'-티오디프로파노에이트

3,3'-Thiobis(methyl propionate)

HCID 77781
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기본 정보

CAS
4131-74-2
표준 SMILES
COC(=O)CCSCCC(=O)OC
InChIKey
MYWWWNVEZBAKHR-UHFFFAOYSA-N
분자식
C8H14O4S
평균 분자량
206.26 g/mol
단동위원소 질량
206.0612801

이름 및 식별자

우선 이름
3,3'-Thiobis(methyl propionate)
IUPAC
methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
현지명
디메틸3,3'-티오디프로파노에이트
영어명
Dimethyl 3,3'-thiodipropanoate
분자식
C8H14O4S
분자량
206.26

이름 및 동의어

4131-74-2Dimethyl 3,3'-thiodipropionateDimethyl thiodipropionate3,3'-Thiobis(methyl propionate)Propanoic acid, 3,3'-thiobis-, dimethyl esterBis(2-methoxycarbonylethyl)sulfideDTXSID0027561Dimethyl 3,3'-thiobispropionate4QGO9S8DSCThiodipropionic acid dimethyl esterNSC 2244Propionic acid, 3,3'-thiodi-, dimethyl ester
이름 더 보기
디메틸3,3'-티오디프로파노에이트Dimethyl DithiopropionateDIMETHYL 3 3-THIODIPROPIONATEDimethyl 3,3'-thiodipropanoateDIMETHYL 3,3''-THIODIPROPANOATE
Propanoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester.beta.,.beta.'-Dicarbomethoxydiethyl sulfideNSC-2244EINECS 223-948-9NSC 35224NSC-35224beta,beta'-Dicarbomethoxydiethyl sulfideDTXCID907561

데이터베이스 식별자

CAS
4131-74-2
PubChem CID
77781
DTXSID
DTXSID0027561
ChEMBL
CHEMBL1899866
UNII
4QGO9S8DSC
EC Number
223-948-9
Nikkaji
J149.683B

물성

구조 계산 물성

XLogP
0.5
극성 표면적
77.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
13

실험 및 물리화학적 성질

Collision Cross Section146.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0027561]

물리화학적 성질

끓는 점
148 °C18 · 148 °C18 mm Hg(lit.)
밀도
1.198 g/mL · 1.198 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.475(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature
물리적 상태
투명한 액체

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 9.7% (12 of 124) of reports.

Warning

H315 (90.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 12 of 124 reports by companies.；There is 1 notification provided by 112 of 124 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationPropanoic acid, 3,3'-thiobis-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (90.3%)；Eye Irrit. 2 (90.3%)

규제 정보

Regulatory InformationPropanoic acid, 3,3'-thiobis-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29309090

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester: ACTIVE

응용 분야

용도Dimethyl 3,3''-thiodipropionate is a useful building block for organic synthesis.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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