9-Octadecenal

Compound Structure:

Synonyms:

9-OCTADECENAL;(E)-Octadec-9-enal;5090-41-5;octadec-9-enal;E-9-Octadecenal;Octadecenyl aldehyde;9-Octadecenal, (E)-;9-Octadecenal, (9E)-;FEMA No. 4059, E-;CHEMBL190707

Compound ID:

NMPC-530

PubChem ID:

5283381

Molecular Formula:

C18H34O

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC=O

InChIKey:

ZENZJGDPWWLORF-MDZDMXLPSA-N

About the compound:

GHS Hazard Statements

• H315 (91.63%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (16.52%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (90.97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H400 (30.62%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (25.77%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	266.5 g/mol
XLogP3-AA	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	266.260965704 g/mol
Monoisotopic Mass	266.260965704 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid
Boiling Point	352.00 to 367.00 °C. @ 760.00 mm Hg
Density	0.837-0.845
Solubility	Soluble in hexane and diethyl ether; insoluble in water

Source: PubChem

Source Species:

Chenopodium ambrosioides
Chrysophyllum albidum
Dyschoriste perrottetii
Hyptis suaveolens

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