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2-Butyloctanoic acid

CAT: 0013-GTR19238635-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19238635-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Butyloctanoic acid is a branched-chain fatty acid utilized in dermatological research. It serves as a reference compound in studies investigating the effects of fatty acid structure on skin barrier function and topical formulations in both in vitro and ex vivo models.
CAS Number
27610-92-0
Purity
99.80% (May vary between batches)
Smiles
CCCCCCC (CCCC) C (O) =O
Molecular Formula
C12H24O2
Molecular Weight
200.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Butyloctanoic acid
CAS Number27610-92-0
PubChem CID33970
IUPAC Name2-butyloctanoic acid
Molecular FormulaC12H24O2
Molecular Weight200.32
XLogP4.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity143
SMILES
CCCCCCC(CCCC)C(=O)O
InChI
InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChIKey
OARDBPIZDHVTCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Butyloctanoic acid
CAS: 27610-92-0
CID: 33970
Formula: C12H24O2
MW: 200.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.32
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass200.177630004
Monoisotopic Mass200.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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