ChemFOnt: Showing chemical card for Dodecan-1-al (CFc000333331)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:13:18 UTC

Chemfont ID

CFc000333331

Molecule Identification

Common Name

Dodecan-1-al

Definition

Dodecanol, also known as dodecyl alcohol or lorol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, dodecanol is considered to be a fatty alcohol lipid molecule. Dodecanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dodecanol can be synthesized from dodecane. Dodecanol can also be synthesized into lauryl palmitoleate and dodecyl palmitate. Dodecanol can be found in a number of food items such as eggplant, cumin, oval-leaf huckleberry, and tinda, which makes dodecanol a potential biomarker for the consumption of these food products. Dodecanol can be found primarily in feces and saliva. Dodecanol exists in all eukaryotes, ranging from yeast to humans. Dodecanol (systematically named dodecan-1-ol) is an organic compound with the chemical formula CH3(CH2)10CH2OH (also written as C 12H 26O). It is tasteless, colourless solid with a floral smell. It is classified as a fatty alcohol .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Dodecanol	ChEBI
1-Hydroxydodecane	ChEBI
Dodecyl alcohol	ChEBI
Dodecylalcohol	ChEBI
Lauroyl alcohol	ChEBI
Lauryl alcohol	ChEBI
N-Dodecan-1-ol	ChEBI
N-Lauryl alcohol	ChEBI
Undecyl carbinol	ChEBI
1-Dodecanol (acd/name 4.0)	HMDB
1-Dodecyl alcohol	HMDB
Alcohol C-12	HMDB
Alfol 12	HMDB
CO-1214S1-Dodecanol	HMDB
Dodecan-1-ol	HMDB
Dodecanol-1	HMDB
Duodecyl alcohol	HMDB
Dytol J-68	HMDB
Epal 12	HMDB
Exxal 12	HMDB
Fatty alcohol	HMDB
Hydroxydodecane	HMDB
Karukoru 20	HMDB
Lauric alcohol	HMDB
Laurinic alcohol	HMDB
Lauryl 24	HMDB
Lipocol L	HMDB
Lorol	HMDB
Lorol 11	HMDB
Lorol 5	HMDB
Lorol 7	HMDB
Lorol C12	HMDB
Lorol C12-C14	HMDB
Lorol C8-C10 special	HMDB
Lorol special	HMDB
N-Dodecanol	HMDB
N-Dodecyl alcohol	HMDB
Philcohol 1200	HMDB
Pisol	HMDB
Sipol L12	HMDB
Siponol 25	HMDB
Siponol L5	HMDB
Alcohol, lauryl	HMDB
Alcohol, N-dodecyl	HMDB
N Dodecyl alcohol	HMDB
1 Dodecanol	HMDB
Alcohol, dodecyl	HMDB
Dodecanol	MeSH

Chemical Formula

C₁₂H₂₆O

Average Molecular Weight

186.3342

Monoisotopic Molecular Weight

186.198365454

IUPAC Name

dodecan-1-ol

Traditional Name

1-dodecanol

CAS Registry Number

112-53-8

SMILES

CCCCCCCCCCCCO

InChI Identifier

InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChI Key

LQZZUXJYWNFBMV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary alcohol (CHEBI:28878 )
fatty alcohol (CHEBI:28878 )
dodecanols (CHEBI:28878 )
Fatty alcohols (C02277 )
Fatty alcohols (LMFA05000001 )
a long-chain alcohol (CPD-7867 )
a primary alcohol (CPD-7867 )
a fatty alcohol (CPD-7867 )

Functional Ontology

Exogenous (HMDB: HMDB0011626)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Vegetable

Root vegetable

Carrot (FooDB: FOOD00245)
Wild carrot (FooDB: FOOD00072)

Herb and spice

Spice

Wild celery (FooDB: FOOD00015)

Herb

Coriander (FooDB: FOOD00061)

Cereal and cereal product

Cereal

Corn (FooDB: FOOD00205)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.0026 g/L	ALOGPS
logP	5.36	ALOGPS
logP	4.36	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	58.94 m³·mol⁻¹	ChemAxon
Polarizability	25.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon