3,7-Dimethyloct-6-enaloxim

6-Octenal, 3,7-dimethyl-, oxime

HCID 89723CAS 22457-25-6

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Grundinformationen

Standard-SMILES: CC(C)=CCCC(C)CC=NO
InChIKey: JUCCIEVMICHZPK-UHFFFAOYSA-N
Summenformel: C10H19NO
Durchschnittliche Molmasse: 169,26 g/mol
Monoisotopische Masse: 169,14666423

Namen und Bezeichner

Bevorzugter Name: 6-Octenal, 3,7-dimethyl-, oxime
IUPAC: N-(3,7-dimethyloct-6-enylidene)hydroxylamine
Lokaler Name: 3,7-Dimethyloct-6-enaloxim
Englischer Name: 3,7-dimethyloct-6-enal oxime
Summenformel: C10H19NO
Molmasse: 169.26

Namen und Synonyme

6-Octenal, 3,7-dimethyl-, oxime22457-25-66-Octenaldoxime, 3,7-dimethyl-EINECS 245-011-3NSC 152365AI3-12093DTXSID30885206RefChem:105191DTXCID301024600Citronellal oximeCitronellaloximSCHEMBL3273714

Weitere Namen anzeigen

3,7-Dimethyl-6-octenal oxime3,7-dimethyloct-6-enal oxime

3,7-dimethyl-oct-6-enal oximeNS00050124N-(3,7-dimethyloct-6-en-1-ylidene)hydroxylamine

Datenbank-Bezeichner

CAS: 22457-25-6
PubChem CID: 89723
DTXSID: DTXSID30885206
EC Number: 245-011-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 32,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Siedepunkt: 124 · 124-125 °C
Dichte: 0.8971 g/cm3 · 0.8971 g/cm3(Temp: 27.5 °C)
pka: 11.29 · 11.29±0.14(Predicted)
Geruch (Odor): 100 % · at 100.00 %. citrus bergamot lime
Geruchsart: citrus
LogP: 3.253 · 3.253 (est)
EPA chemische Informationen: 6 · 6-Octenal, 3,7-dimethyl-, oxime (22457-25-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (2 of 106) of reports.

Warning

H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (98.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 106 reports by companies.；There is 1 notification provided by 104 of 106 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.