Dodec-2-yn-1-ol

HCID 1712322

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Grundinformationen

CAS: 69064-46-6
Standard-SMILES: CCCCCCCCCC#CCO
InChIKey: SOUKGGXCKPWFMZ-UHFFFAOYSA-N
Summenformel: C12H22O
Durchschnittliche Molmasse: 182,3 g/mol
Monoisotopische Masse: 182,16706532

Namen und Bezeichner

Bevorzugter Name: Dodec-2-yn-1-ol
IUPAC: dodec-2-yn-1-ol
Englischer Name: 2-DODECYN-1-OL
Summenformel: C12H22O
Molmasse: 182.3

Namen und Synonyme

dodec-2-yn-1-olRefChem:590081830-773-72-dodecyn-1-ol69064-46-6MFCD06408013SCHEMBL1535622SCHEMBL7341770DTXSID20364833SOUKGGXCKPWFMZ-UHFFFAOYSA-NALBB-037077UCA06446

Weitere Namen anzeigen

SBB089948AKOS006295600CS-0232341EN300-126926G28534AB-131/42301173Z1198168660

Datenbank-Bezeichner

CAS: 69064-46-6
PubChem CID: 1712322
DTXSID: DTXSID20364833
EC Number: 830-773-7
Nikkaji: J673.418I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 7
Schwere Atome: 13
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 18.8 °C · 18.8°C (estimate)
Siedepunkt: 285.73 °C · 285.73°C (rough estimate)
Dichte: 0.853 · 0.8530 (estimate)
Brechungsindex: 1.4535 · 1.4535 (estimate)
pka: 12.99 · 12.99±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.