Products for Research Use Only
RegisterLogin

Hexyl Octanoate

CAT: 0013-GTR19239101-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19239101-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Hexyl Octanoate (FEMA 2575) is a fragrance ingredient identified by the Research Institute for Fragrance Materials. It is commonly used in flavor and fragrance research, with applications studied in both in vitro assays for volatility and odor profiling and in vivo models for sensory evaluation.
CAS Number
1117-55-1
Product Name Alternative
FEMA 2575
Purity
98.91% (May vary between batches)
Smiles
CCCCCCCC (=O) OCCCCCC
Molecular Formula
C14H28O2
Molecular Weight
228.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hexyl Octanoate

Hexyl octanoate is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol. It has a role as a plant metabolite. It is functionally related to a hexan-1-ol.

CAS Number1117-55-1
PubChem CID14228
IUPAC Namehexyl octanoate
Molecular FormulaC14H28O2
Molecular Weight228.37
XLogP5.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity155
SMILES
CCCCCCCC(=O)OCCCCCC
InChI
InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey
PBGWNXWNCSSXCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexyl Octanoate
CAS: 1117-55-1
CID: 14228
Formula: C14H28O2
MW: 228.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.37
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass228.208930132
Monoisotopic Mass228.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity155
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

Related Products

CatalogName
GTR19238258Monomethyl octanoate
GTR19244016-01Bromoxynil octanoate
GTR19243769-01Propyl octanoate
GTR19243602-01Butyl octanoate
GTR19164569-01Methyl octanoate
GTR19216283-01Methyl octanoate
GTR19156488-01ETHYL OCTANOATE
GTR19245287-01Vinyl octanoate
GTR19238680-01Butyl octanoate
GTR19165168-01ETHYL OCTANOATE

Alternative Products

CatalogName
OR1013506-01Hexyl Octanoate
sc-280988Methyl-8- (5-Hexyl-2-furyl) -octanoate
OR1013482-01Heptadecan-9-Yl 8- ((2-Hydroxyethyl) (6-Oxo-6- (Undecyloxy) Hexyl) Amino) Octanoate
TRC-P335648-500MGPhenylmercuric Octanoate
HY-W015305-01Ethyl octanoate
HY-W106466Vinyl octanoate
T9124-01Laninamivir octanoate
TN6890-01Methyl octanoate
467247-01Testosterone Octanoate
443527-01Bromoxynil Octanoate

Popular Products