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2-Octanol

CAT: 1410-M37375-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M37375-05Size:200 mg
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Description
Octan-2-ol is involved in the production of nanomaterials and liquid crystal materials.
CAS Number
123-96-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
130.23
Molecular Formula
C8H18O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2-Octanol

Octan-2-ol is an octanol carrying the hydroxy group at position 2. It has a role as a volatile oil component and a plant metabolite. It is a secondary alcohol and an octanol.

CAS Number123-96-6
PubChem CID20083
IUPAC Nameoctan-2-ol
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity52
SMILES
CCCCCCC(C)O
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Octanol
CAS: 123-96-6
CID: 20083
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity52.5
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