9-Dodecen-1-ol, (9Z)-

HCID 6431342CAS 35148-18-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC/C=C\CCCCCCCCO
InChIKey: GJNNIRNIXNLOJP-ARJAWSKDSA-N
Summenformel: C12H24O
Durchschnittliche Molmasse: 184,32 g/mol
Monoisotopische Masse: 184,18271539

Namen und Bezeichner

Bevorzugter Name: 9-Dodecen-1-ol, (9Z)-
IUPAC: (Z)-dodec-9-en-1-ol
Englischer Name: 9-DODECEN-1-OL,(Z)-
Summenformel: C12H24O
Molmasse: 184.32

Namen und Synonyme

(Z)-dodec-9-en-1-ol35148-18-69Z-Dodecen-1-ol9-Dodecen-1-ol, (9Z)-(9Z)-Dodecen-1-ol9-dodecenol, Z(9Z)-DODEC-9-EN-1-OL(Z)-9-dodecen-1-ol(Z)-9-dodecenol(Z)9-Dodecen-1-olCIS-9-DODECEN-1-OLSCHEMBL517910

Weitere Namen anzeigen

Ai3-35870z-9-DODECEN-1-OLdodeca-9-en-1-ol9-(Z)-Dodecen-1-ol

SCHEMBL43379609Z-12OHDTXSID80885610CHEBI:169611LMFA05000158AKOS006281854BS-46248CS-0162465

Datenbank-Bezeichner

CAS: 35148-18-6
PubChem CID: 6431342
DTXSID: DTXSID80885610
ChEBI: CHEBI:169611
EC Number: 609-079-1
Nikkaji: J422.328D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 9
Schwere Atome: 13
Formalladung: 0
Komplexität: 108

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1473；1473

2024；2011；2055

Physikochemische Eigenschaften

Siedepunkt: 272.1 · 272.1±9.0℃ (760 Torr)
Dichte: 0.846 · 0.846±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 100 · 100.0±15.0℃
pka: 15.2 · 15.20±0.10(Predicted)
LogP: 4.505 · 4.505 (est)
EPA chemische Informationen: 9 · 9-Dodecen-1-ol, (9Z)- (35148-18-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, 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.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 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 InformationStatus: Active Update: 04-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29831

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 04-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29831

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9-Dodecen-1-ol, (9Z)-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden(9Z)-Dodecen-1-ol is derived from 2-Decyn-1-ol (D228475), which is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primarily breast and ovarian.