Dodecyl aldehyde

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CAS Number

112-54-9

Synonyms

Lauraldehyde, dodecanal

MDL Number

MFCD00007017

Purity

95% (stabilized with BHT)

Smiles

CCCCCCCCCCCC=O

Chemical Information

Dodecanal

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 medium-chain fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It derives from a hydride of a dodecane.

CAS Number	112-54-9
PubChem CID	8194
IUPAC Name	dodecanal
Molecular Formula	C12H24O
Molecular Weight	184.32
XLogP	4.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Heavy Atom Count	13
Formal Charge	0
Complexity	99

SMILES

CCCCCCCCCCCC=O

InChI

InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

InChIKey

HFJRKMMYBMWEAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-54-9

CID: 8194

Formula: C12H24O

MW: 184.32

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	184.32
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	184.182715385
Monoisotopic Mass	184.182715385
Topological Polar Surface Area	17.1 Å²
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

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Catalog	Name
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OR4679	Dodecyl iodide
OR1044678-01	Dodecyl benzoate
OR1023853	Dodecyl Icosanoate
OR1026985-01	Dodecyl Sulfide
BUP17938	Dodecyl gallate
OR1013075-01	Dodecyl Acrylate

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Catalog	Name
abx185403-01	Dodecyl aldehyde
TRC-P689420-50MG	Dodecyl Polyoxyethylene (23) Aldehyde
HY-W590543-01	Dodecyl azide
CAA91572-01	Dodecyl benzoate
TCL-00189-01	Dodecyl arachidate
T20648	Dodecyl gallate
T31561	Dodecyl decanoate
272910-01	Dodecyl methanethiosulfonate
TRC-D552460-500MG	Dodecyl Chloroacetate
JH600398	Dodecyl isocyanate

Dodecyl aldehyde

Chemical Information

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