Grundinformationen
- Standard-SMILES
C=CCCCCOC(C)=O- InChIKey
MPLWNENKBSBMFN-UHFFFAOYSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,09937969
Namen und Bezeichner
- Bevorzugter Name
- 5-Hexenyl Acetate
- IUPAC
- hex-5-enyl acetate
- Englischer Name
- ACETIC ACID 5-HEXEN-1-YL ESTER
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5048-26-0- PubChem CID
- 537536
- DTXSID
DTXSID80336950- EC Number
- 610-535-7
- Nikkaji
- J118.143B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1001.4
1313;1313;1313;1313
Physikochemische Eigenschaften
- Siedepunkt
- 173 · 173-174 °C(lit.)
- Dichte
- 0.883 g/mL · 0.883 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.423(lit.)
- Flammpunkt
- 141 °F · 141 °F
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Insoluble in water, soluble in alcohol.
- InChI
- 1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3H,1,4-7H2,2H3
- InChIKey
- MPLWNENKBSBMFN-UHFFFAOYSA-N
- SMILES
- CC(=O)OCCCCC=C
- LogP
- 2.392 · 2.392 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (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.;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
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 2915390090
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
Chemie und Industrie
Anwendungen
Verwenden(4E,7Z)-4,7-Tridecadienyl acetate,a component of the sex pheromone was synthesized from 5-hexenyl acetate. CM of 5-decene with 5-hexenyl acetate is used to produce the insect pheromone. Used in olefin cross metathesis.
Anbieter35 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…