CAS 638-66-4 Octadecanal (HCID 12533)

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Grundinformationen

CAS: 638-66-4
Standard-SMILES: CCCCCCCCCCCCCCCCCC=O
InChIKey: FWWQKRXKHIRPJY-UHFFFAOYSA-N
Summenformel: C18H36O
Durchschnittliche Molmasse: 268,5 g/mol
Monoisotopische Masse: 268,27661577

Überblick

Octadecanal is an alpha-CH2-containing aldehyde.

Namen und Bezeichner

Bevorzugter Name: Octadecanal
IUPAC: octadecanal
Lokaler Name: Stearaldehyd
Englischer Name: stearaldehyde
Summenformel: C18H36O
Molmasse: 268.48

Namen und Synonyme

OCTADECANALStearaldehydeStearyl aldehyde1-octadecanalPH4GZ7JT4CEINECS 211-346-9NSC 68100UNII-PH4GZ7JT4CNSC-68100CHEBI:17034DTXSID60213250Octadecanal (9CI)

Weitere Namen anzeigen

1-OctadecanoneOctadecanal>OctadecanaldehydeTIANFU-CHEM - stearaldehydeoctadecanaldehyde,octadecanalinhibit,Inhibitor,Octadecanal,Endogenous MetaboliteOctadecanaldehyde Octadecyl Aldehyde Stearaldehyde Stearyl Aldehyde

RefChem:167578DTXCID60135741FWWQKRXKHIRPJY-UHFFFAOYSA-N638-66-4OctadecanaldehydeOctadecyl aldehyden-OctadecanalMFCD03790007

Datenbank-Bezeichner

CAS: 638-66-4
PubChem CID: 12533
DTXSID: DTXSID60213250
ChEBI: CHEBI:17034
UNII: PH4GZ7JT4C
EC Number: 211-346-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 16
Schwere Atome: 19
Formalladung: 0
Komplexität: 165

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

Boiling Point320.00 to 322.00 °C. @ 760.00 mm Hg

Melting Point38.00 °C. @ 760.00 mm Hg

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 43 to · 43.0 to 47.0 °C
Siedepunkt: 215 °C/20mmHg · 215°C/20mmHg(lit.)
Dichte: 0.8203 · 0.8203 (estimate)
Brechungsindex: 1.4508 · 1.4508 (estimate)
storage temp.: 0 °C · <0°C
Löslichkeit: Chloroform (Slightly), Methanol (Very Slightly, Heated)
Aggregatzustand: Solid
Farbe: White to Off-White
Geruch (Odor)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (2 of 6) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

hs_code: 2912190090
RTECS-Nr.: RG0181500

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Anwendungen · 1 Eintrag

VerwendenOctadecanaldehyde used in the preparation of new anti-HIV Moloka’lamine derivatives. Also used in the preparation of fluorescently labelled dynamic amphiphiles for analysis of transmembrane ion transport, sensing and cellular uptake.A possible volatile of Parkinson’s disease.