Oct-7-enal

7-Octenal · oct-7-enal · Einecs 244-449-2

Identifikatoren & physikalische Daten

CAS No.	21573-31-9
Summenformel	C8H14O
Durchschnittliche Molmasse	126,2 g/mol
Monoisotopische Masse	126,10446507 g/mol
SMILES	C=CCCCCCC=O
InChIKey	LIINGNMKNRSOGW-UHFFFAOYSA-N
PubChem CID	88947
EC No.	244-449-2
DTXSID	DTXSID40175923
Lokaler Name	Oct-7-enal

XLogP	2,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	9
Formalladung	0
Komplexität	76,6
SpringerMaterials Properties	Chemical shift
Collision Cross Section	129.58 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	3.5°C (estimate)
Siedepunkt	184.35°C (estimate)
Dichte	0.8654 (estimate)
Dampfdruck	4.59hPa at 25℃
Brechungsindex	1.4353 (estimate)
Lagerbedingungen	Amber Vial, Refrigerator, Under inert atmosphere
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)1.27g/L at 20℃
Aggregatzustand	Oil
Farbe	Colourless
Stabilität	Air Sensitive, Light Sensitive
LogP (Verteilungskoeffizient)	2.4 at 25℃

GHS-Einstufung	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 03-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22001
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Alarmwort	Achtung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226