hexadecanal

Compound Structure:

Synonyms:

Hexadecanal; Palmitaldehyde; 1-Hexadecanal; N-Hexadecanal; Palmitoyl aldehyde; 16-Hexadecanal; Hexadecanaldehyde; Palmitic aldehyde; Hexadecanal-d5; Cetyl aldehyde; Hexadecylaldehyde; Palmityl aldehyde; N-Hexadecan-1-al.

Compound ID:

NMPC-1112

PubChem ID:

984

Molecular Formula:

C16H32O

Canonical SMILES:

CCCCCCCCCCCCCCCC=O

InChIKey:

NIOYUNMRJMEDGI-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 (100%): 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	240.42 g/mol
XLogP3-AA	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	240.245315640 g/mol
Monoisotopic Mass	240.245315640 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	143
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	35°C

Source: PubChem

Source Species:

Euphorbia hirta
Gongronema latifolium
Tithonia diversifolia
Brachystegia eurycoma

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