n-Decanal

n-Decanal
Compound Structure:
Synonyms: Decanal; Decyl aldehyde; Caprinaldehyde; Capraldehyde; Decanaldehyde; n-Decyl aldehyde; Capric aldehyde; 1-Decanal; DECALDEHYDE; n-Decanal; n-Decaldehyde; 1-Decyl aldehyde; Aldehyde C10; Decylic aldehyde; Caprinic aldehyde; C-10 aldehyde
Compound ID: NMPC-1293
PubChem ID:

8175

Molecular Formula: C10H20O
Canonical SMILES: CCCCCCCCCC=O
InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N
About the compound:

Decanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). It has a role as an antifungal agent, a fragrance and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde

GHS Hazard Statements

H315 (24.15%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (93.49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H412 (94.32%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

156.26 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

8

Exact Mass

156.151415257 g/mol

Monoisotopic Mass

156.151415257 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

78.9

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

Colorless to light yellow liquid with an odor of citrus; [HSDB] Colorless liquid; [MSDSonline]

Boiling Point

212 °C

Melting Point

-3.9 °C

Density

0.823-0.832

Solubility 

Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol

Vapor Pressure

0.1 [mmHg]

Source: PubChem                        

Source Species: Mariscus alternifolius
Brachystegia eurycoma
Acalypha segetalis
Morinda lucida
Luffa cylindrica
Plumeria alba
Pyrenacantha staudtii
Tecoma stans
Download SDF