Dodecanal

Dodecanal
Compound Structure:
Synonyms: Dodecanal; DODECANAL; Dodecyl aldehyde; Lauraldehyde; Lauric aldehyde; Lauryl aldehyde; 1-Dodecanal; Dodecanaldehyde; Laurinaldehyde; Duodecylic aldehyde; Dodecylaldehyde; C-12 aldehyde, lauric; Aldehyde C-12, lauric; C12 aldehyde; Aldehyde C12.
Compound ID: NMPC-981
PubChem ID:

8194
Molecular Formula: C12H24O
Canonical SMILES: CCCCCCCCCCCC=O
InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
About the compound:

Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a 2,3-saturated fatty aldehyde, a medium-chain fatty aldehyde and a long-chain fatty aldehyde. It derives from a hydride of a dodecane.

GHS Hazard Statements

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

• H317 (77.54%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (77.76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H411 (22.87%): Toxic 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

184.32 g/mol

XLogP3-AA

4.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

10

Exact Mass

184.182715385 g/mol

Monoisotopic Mass

184.182715385 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

99.3

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

Liquid

Boiling Point

185.00 °C. @ 100.00 mm Hg

Melting Point

44.5 °C

Density

0.826-0.836

Solubility 

soluble in alcohol, most fixed oils, propylene glycol (may be turbid); insoluble in glycerol, water

Vapor Pressure

0.01 [mmHg]

Source: PubChem
Source Species: Tecoma stans
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