Methylthioacetat

METHYL THIOACETATE · Methyl thiolacetate · S-METHYL ETHANETHIOATE · FEMA 3876 · CH3C(O)SCH3 · S-Methyl thioacetate · S-MethylThioacetate>S-METHYL ACETOTHIOACETATE · S-Methyl Thioacetate 98%

https://huagongshe.com/de/chemical/73750

Identifikatoren & physikalische Daten

CAS No.	1534-08-3
Summenformel	C3H6OS
Durchschnittliche Molmasse	90,15 g/mol
Monoisotopische Masse	90,01393598 g/mol
SMILES	CSC(C)=O
InChIKey	OATSQCXMYKYFQO-UHFFFAOYSA-N
PubChem CID	73750
ChEBI	CHEBI:51280
EC No.	216-252-1
DTXSID	DTXSID3073264
Lokaler Name	Methylthioacetat

Chemische & physikalische Eigenschaften

XLogP	0,7
Polarare Oberfläche (TPSA)	42,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	5
Formalladung	0
Komplexität	42
Dichte	0.817-0.8251,024 g/cm3
Löslichkeit	soluble in oil and alcohol(in ethanol)
Siedepunkt	95.00 to 96.00 °C. @ 760.00 mm Hg95-96 °C97-99°C
Brechungsindex	1.460-1.468n/D1.464
Physical Description	Liquidcolourless to pale yellow liquid
Kovats Retention Index	688675683671689.6701702699105610521046104110571090104710441060105010541052.21056.4
Schmelzpunkt	97~99℃
FEMA	3876 \| S-METHYL THIOACETATE
Flammpunkt	12°C
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
Wichte	1.024
Farbe	Colorless to Almost colorless
Geruch	at 0.10 % in propylene glycol. sulfurous eggy cheese dairy vegetable cabbage
Geruchsart	sulfurous
JECFA Number	482
InChI	1S/C3H6OS/c1-3(4)5-2/h1-2H3
InChIKey	OATSQCXMYKYFQO-UHFFFAOYSA-N
SMILES	CSC(C)=O
LogP (Verteilungskoeffizient)	0.73
CAS Datenbank	1534-08-3(CAS DataBase Reference)
EPA chemische Informationen	Ethanethioic acid, S-methyl ester (1534-08-3)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.DangerH225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (86.4%): Flammable liquid and vapor [Warning Flammable liquids]H311 (99.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H319 (99.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1490 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1490 reports by companies.There are 8 notifications provided by 1487 of 1490 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	Chemical: Ethanethioic acid, S-methyl esterEthanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 2 (13.4%)Flam. Liq. 3 (86.4%)Acute Tox. 3 (99.5%)Eye Irrit. 2 (99.5%)Acute Tox. 3 (96.8%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	1992
Zollcode	29309090
R-Sätze (R)	11-20/21/22-36-24-20

Anwendungen & Verwendung

Occurrence

Reported found in melon, strawberry, onion, Gruyere and limburger cheese, fish oil, cooked beef, pork liver, beer, whiskies, grape wines, coffee and yellow passion fruit