Dimethyl-3,3'-thiobispropionat

Dimethyl thiodipropionate · Dimethyl Dithiopropionate · DIMETHYL 3 3-THIODIPROPIONATE · Dimethyl 3,3'-thiodipropanoate · Dimethyl 3,3'-Thiodipropionate · 3,3'-Thiobis(methyl propionate) · DIMETHYL 3,3''-THIODIPROPANOATE · dimethyl 3,3'-thiobispropionate

https://huagongshe.com/de/chemical/77781

Molekülstruktur von Dimethyl-3,3'-thiobispropionat

Identifikatoren & physikalische Daten

CAS No.	4131-74-2
Summenformel	C8H14O4S
Durchschnittliche Molmasse	206,26 g/mol
Monoisotopische Masse	206,0612801 g/mol
SMILES	COC(=O)CCSCCC(=O)OC
InChIKey	MYWWWNVEZBAKHR-UHFFFAOYSA-N
PubChem CID	77781
ChEMBL	CHEMBL1899866
EC No.	223-948-9
DTXSID	DTXSID0027561
Lokaler Name	Dimethyl-3,3'-thiobispropionat

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	77,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	8
Schwere Atome	13
Formalladung	0
Komplexität	152
Collision Cross Section	146.5 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0027561]
Siedepunkt	148 °C18 mm Hg(lit.)
Dichte	1.198 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.475(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
InChI	InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3
InChIKey	MYWWWNVEZBAKHR-UHFFFAOYSA-N
SMILES	S(CCC(OC)=O)CCC(OC)=O
CAS Datenbank	4131-74-2(CAS DataBase Reference)
NIST chemische Informationen	Propanoic acid, 3,3'-thiobis-, dimethyl ester(4131-74-2)
EPA chemische Informationen	Propanoic acid, 3,3'-thiobis-, dimethyl ester (4131-74-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 9.7% (12 of 124) of reports.WarningH315 (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.
Regulatorische Informationen	Propanoic acid, 3,3'-thiobis-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (90.3%)Eye Irrit. 2 (90.3%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29309090

Anwendungen & Verwendung

Verwenden

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