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Grundinformationen
- CAS
103616-07-5- Standard-SMILES
CCOC(=O)C(C)S- InChIKey
LXXNWCFBZHKFPT-UHFFFAOYSA-N- Summenformel
- C5H10O2S
- Durchschnittliche Molmasse
- 134,2 g/mol
- Monoisotopische Masse
- 134,04015073
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-mercaptopropionate
- IUPAC
- ethyl 2-sulfanylpropanoate
- Lokaler Name
- Ethyl-2-mercaptopropionat
- Englischer Name
- Ethyl 2-mercaptopropionate
- Summenformel
- C5H10O2S
- Molmasse
- 134.2
Namen und Synonyme
Ethyl 2-mercaptopropionateEthyl 2-mercaptopropanoateEthyl 2-sulfanylpropanoatePropanoic acid, 2-mercapto-, ethyl ester2-Mercaptopropionic Acid Ethyl EsterPropionic acid, 2-mercapto-, ethyl esterFEMA No. 3279Ethyl alpha-mercaptopropionateEINECS 243-314-5UNII-3I8OLS586D3I8OLS586DEthyl 2-thiolpropanoate
Weitere Namen anzeigen
THIOLATEFEMA 3279ETHYL THIOLACTATEEthly ThiolactateEthyl2-Mercaptopropionate>mercaptopropionicacidethylester
LXXNWCFBZHKFPT-UHFFFAOYSA-DTXSID208649042-Mercaptopropionic acid, ethyl esterETHYL .ALPHA.-MERCAPTOPROPIONATEETHYL 2-MERCAPTOPROPIONATE [FHFI]RefChem:138614DTXCID20813371(+-)-2-MERCAPTOPROPIONIC ACID ETHYL ESTER
Datenbank-Bezeichner
- CAS
103616-07-5、19788-49-9- PubChem CID
- 519709
- DTXSID
DTXSID20864904- ChEBI
CHEBI:173549- UNII
- 3I8OLS586D
- EC Number
- 243-314-5
- Nikkaji
- J101.165K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 27,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 82
Experimentelle und physikochemische Eigenschaften
Density1.027-1.050
Solubility(in ethanol)
Boiling Point40-41 °C (1 mm Hg)
Refractive Index1.447-1.452
Kovats Retention Index
901
925；869
1339；1300
Physikochemische Eigenschaften
- Siedepunkt
- 40 · 40-41 °C1 mm Hg(lit.)
- Dichte
- 1.031 g/mL · 1.031 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.449(lit.)
- FEMA
- 3279 · 3279 | ETHYL 2-MERCAPTOPROPIONATE
- Flammpunkt
- 137 °F · 137 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 8.59 · 8.59±0.10(Predicted)
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 0.1 % · at 0.10 % in dipropylene glycol. sulfury meaty green onion
- Geruchsart
- sulfurous
- JECFA Number
- 552 · 552
- BRN
- 1071465 · 1071465
- LogP
- 1.53 · 1.53
- CAS Datenbank
- 19788 · 19788-49-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Ethyl 2-mercaptopropionate (19788-49-9)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1447) of reports.
Warning
H226 (10.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 1447 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 11 of 1447 reports by companies.；There are 9 notifications provided by 1436 of 1447 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.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-mercapto-, ethyl ester
Propanoic acid, 2-mercapto-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (10.3%)；Acute Tox. 4 (96.3%)；Skin Irrit. 2 (96.1%)；Eye Irrit. 2 (96.1%)；Acute Tox. 4 (96.3%)；STOT SE 3 (96%)
Regulatorische Informationen
Regulatory Information
Chemical: Propanoic acid, 2-mercapto-, ethyl ester
Propanoic acid, 2-mercapto-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309090
- risk_code
- 20/21/22-10
- safety_code
- 16-23-36/37/39-36/37
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-mercapto-, ethyl ester: ACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter100 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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