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1-Dodecanol

CAT: 1410-M28730-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M28730-02Size:1 mL x 10 mM in DMSO
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Description
1-Dodecanol is an endogenous metabolite and a saturated fatty alcohol from coconut oil fatty acids.
CAS Number
112-53-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
186.339
Molecular Formula
C12H26O
Notes
Research use only, not for human use.
Receptor
RORγ

Chemical Information

1-Dodecanol

Dodecan-1-ol is a primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. It has a role as an insect attractant, an insecticide, a pheromone, a cosmetic, a plant metabolite and a bacterial metabolite. It is a primary alcohol and a dodecanol.

CAS Number112-53-8
PubChem CID8193
IUPAC Namedodecan-1-ol
Molecular FormulaC12H26O
Molecular Weight186.33
XLogP5.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count13
Formal Charge0
Complexity81
SMILES
CCCCCCCCCCCCO
InChI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey
LQZZUXJYWNFBMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Dodecanol
CAS: 112-53-8
CID: 8193
Formula: C12H26O
MW: 186.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.33
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass186.198365449
Monoisotopic Mass186.198365449
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity81.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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