Octadecanal

HCID 12533

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Basic information

CAS: 638-66-4
Standard SMILES: CCCCCCCCCCCCCCCCCC=O
InChIKey: FWWQKRXKHIRPJY-UHFFFAOYSA-N
Molecular formula: C18H36O
Average molar mass: 268.485 g/mol
Monoisotopic mass: 268.27661577

Names & identifiers

Preferred name: Octadecanal
IUPAC: Octadecanal
English name: stearaldehyde
Molecular formula: C18H36O
Molecular weight: 268.48

Names & synonyms

1-Octadecanalstearaldehyde1-OctadecanoneOctadecanal>OctadecanaldehydeTIANFU-CHEM - stearaldehydeoctadecanaldehyde,octadecanalinhibit,Inhibitor,Octadecanal,Endogenous MetaboliteOctadecanaldehyde Octadecyl Aldehyde Stearaldehyde Stearyl Aldehyde

Database identifiers

CAS: 638-66-4
PubChem CID: 12533
DTXSID: DTXSID60213250
ChEBI: CHEBI:17034
UNII: PH4GZ7JT4C
EC Number: 211-346-9
Nikkaji: J97.280K

Properties

Physicochemical properties

Melting point: 43 to · 43.0 to 47.0 °C
Boiling point: 215 °C/20mmHg · 215°C/20mmHg(lit.)
Density: 0.8203 · 0.8203 (estimate)
refractive index: 1.4508 · 1.4508 (estimate)
storage temp.: 0 °C · <0°C
solubility: Chloroform (Slightly), Methanol (Very Slightly, Heated)
form: Solid
color: White to Off-White
Odor: 100 % · at 100.00%. oily
InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
InChIKey: FWWQKRXKHIRPJY-UHFFFAOYSA-N
SMILES: C(=O)CCCCCCCCCCCCCCCCC
LogP: 8.046 · 8.046 (est)
CAS DataBase Reference: 638 · 638-66-4
FDA UNII: 4 GZ7JT4C · PH4GZ7JT4C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
RTECS: 181500 · RG0181500
HS Code: 2912190090 · 2912190090

Safety & regulation

Safety data

rtecs: RG0181500
hs_code: 2912190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

UsesOctadecanaldehyde 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.