Grundinformationen
- Standard-SMILES
CCOC(=O)C#Cc1ccccc1- InChIKey
ACJOYTKWHPEIHW-UHFFFAOYSA-N- Summenformel
- C11H10O2
- Durchschnittliche Molmasse
- 174,2 g/mol
- Monoisotopische Masse
- 174,06807956
Überblick
Ethyl phenylpropiolate is a clear pale yellow liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Propynoic acid, 3-phenyl-, ethyl ester
- IUPAC
- ethyl 3-phenylprop-2-ynoate
- Lokaler Name
- Ethyl-3-phenylprop-2-inoat
- Englischer Name
- ETHYL PHENYLPROPIOLATE
- Summenformel
- C11H10O2
- Molmasse
- 174.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2216-94-6- PubChem CID
- 91516
- DTXSID
DTXSID9074858- ChEMBL
CHEMBL1992423- UNII
- 09CYB3Z9MR
- EC Number
- 218-703-8
- Nikkaji
- J1.803A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 · 149-150 °C
- Siedepunkt
- 260 · 260-270 °C(lit.)
- Dichte
- 1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.552(lit.)
- Flammpunkt
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Wichte
- 1.055 · 1.055
- Farbe
- Clear yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 639637 · 639637
- InChI
- 1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
- InChIKey
- ACJOYTKWHPEIHW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C#Cc1ccccc1
- CAS Datenbank
- 2216 · 2216-94-6(CAS DataBase Reference)
- EPA chemische Informationen
- Ethyl phenylpropiolate (2216-94-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Reactivity Profile
Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29163990
- RTECS-Nr.
- UE0110000
- risk_code
- 36/38
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenEthyl phenylpropiolate, is an important organic intermediate. It is also used as an intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…