Octadecanal

Compound Structure:

Synonyms:

octadecanal; Stearaldehyde; Stearyl aldehyde; Octadecyl aldehyde; n-Octadecanal; 1-octadecanal; Octadecanaldehyde; 1--Octadecanal.

Compound ID:

NMPC-1343

PubChem ID:

Molecular Formula:

C18H36O

Canonical SMILES:

CCCCCCCCCCCCCCCCCC=O

InChIKey:

FWWQKRXKHIRPJY-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	268.5 g/mol
XLogP3-AA	8.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	16
Exact Mass	268.276615768 g/mol
Monoisotopic Mass	268.276615768 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Boiling Point	320.00 to 322.00 °C. @ 760.00 mm Hg
Melting Point	38.00 °C. @ 760.00 mm Hg

Source: PubChem

Source Species:

Tithonia diversifolia
Brachystegia eurycoma

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