Ethyl-(methylthio)acetat

Ethyl (methylthio)acetate

HCID 78199CAS 4455-13-4
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCOC(=O)CSC
InChIKey
MDIAKIHKBBNYHF-UHFFFAOYSA-N
Summenformel
C5H10O2S
Durchschnittliche Molmasse
134,2 g/mol
Monoisotopische Masse
134,04015056

Überblick

Ethyl 2-(methylthio)acetate is a carboxylic ester.

Namen und Bezeichner

Bevorzugter Name
Ethyl (methylthio)acetate
IUPAC
ethyl 2-methylsulfanylacetate
Lokaler Name
Ethyl-(methylthio)acetat
Englischer Name
Ethyl (methylthio)acetate
Summenformel
C5H10O2S
Molmasse
134.2

Namen und Synonyme

Ethyl (methylthio)acetate4455-13-4Ethyl 2-(methylthio)acetateAcetic acid, (methylthio)-, ethyl esterEthyl 2-(methylthio)-acetateethyl 2-(methylsulfanyl)acetate6148QQN25TEthyl 2-methylthioacetateEINECS 224-700-2NSC-165655FEMA NO. 3835DTXSID40196219
Weitere Namen anzeigen
FEMA 38355-PHENYL-O-ANISIDINE, 98+%Ethyl(Methylthio)acetate>Ethyl(methylthio)acetate,98%Ethyl (methylsulfanyl)acetateEthyl (methylthio)acetate,95%ETHYL ALPHA-(METHYLTHIO)ACETATE
NSC 165655(METHYLTHIO)ACETIC ACID ETHYL ESTSETHYL 2-(METHYLTHIO)ACETATE [FHFI]ACETIC ACID, 2-(METHYLTHIO)-, ETHYL ESTERRefChem:593155DTXCID00118710224-700-2ethyl 2-methylsulfanylacetate

Datenbank-Bezeichner

CAS
4455-13-4
PubChem CID
78199
DTXSID
DTXSID40196219
ChEBI
CHEBI:173553
UNII
6148QQN25T
EC Number
224-700-2
Nikkaji
J205.842A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
51,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.038-1.043
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2 Einträge

70.00 to 72.00 °C. @ 12.00 mm Hg

70-72 °C (25 mm Hg)

Physikochemische Eigenschaften

Siedepunkt
70 · 70-72 °C/25 mmHg (lit.)
Dichte
1.043 g/mL · 1.043 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.459(lit.)
FEMA
3835 · 3835 | ETHYL 2-(METHYLTHIO)ACETATE
Flammpunkt
139 °F · 139 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Acetic acid, (methylthio)-, ethyl ester

Acetic acid, (methylthio)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (99.3%)

Sicherheitsdaten

wgk
3
ridadr
UN 3272 3/PG 3
hs_code
29309090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen

OccurrenceReported found in melon, apple, pineapple, durian, yellow passion fruit and kiwifruit.

VerwendenEthyl (methylthio)acetate is used as an internal standard during the analytical determination of volatile sulfur compounds in port wines. Further, it is used as food flavors.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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