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N-Octylaldehyde

CAT: 0203-25533-02Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0203-25533-02Size:25 mL
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CAS Number
124-13-0
UN Code
1191
Purity
≧ 95.0% (GC)
Storage Conditions
Room Temperature
Grade
EP (Extra Pure Reagent)

Chemical Information

Octanal

Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde.

CAS Number124-13-0
PubChem CID454
IUPAC Nameoctanal
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity59
SMILES
CCCCCCCC=O
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey
NUJGJRNETVAIRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanal
CAS: 124-13-0
CID: 454
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity59.6
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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