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2-Octenal

CAT: 0013-GTR19245397-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245397-01Size:100 mg
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Description
2-Octenal is an unsaturated aldehyde commonly found in the essential oils of various plants, particularly citrus fruits. Due to its distinctive chemical properties, it is a crucial component in applications that require intense, sweet, and fruity aromas. It is frequently used as a flavoring agent in food and beverages, as well as a fragrance in perfumes, soaps, and cosmetics.
CAS Number
2363-89-5
Smiles
CCCCC/C=C/C=O
Molecular Formula
C8H14O
Molecular Weight
126.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-2-Octenal

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as a volatile oil component and an antifungal agent.

CAS Number2363-89-5
PubChem CID5283324
IUPAC Name(E)-oct-2-enal
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
CCCCC/C=C/C=O
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChIKey
LVBXEMGDVWVTGY-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-Octenal
CAS: 2363-89-5
CID: 5283324
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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