3-Octanone (CAS No: 106-68-3) is a versatile aliphatic ketone that holds a prominent position in the global speciality chemicals market, valued primarily for its sweet, herbal, and lavender-like organoleptic profile. This high-purity volatile compound is widely utilised in the B2B flavour and fragrance sector to formul...
3-Octanone Specifications
CAS Number
106-68-3
Molecular Formula
C8H16O
Molecular Weight
128.21
IUPAC Name
octan-3-one
Canonical SMILES
CCCCCC(=O)CC
InChI Key
RHLVCLIPMVJYKS-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
EINECS Number
203-423-0
FEMA Number
2803
MDL Number
MFCD00009515
HSN No
28402090
CAS Number
106-68-3
Molecular Formula
C8H16O
Molecular Weight
128.21
IUPAC Name
octan-3-one
Canonical SMILES
CCCCCC(=O)CC
InChI Key
RHLVCLIPMVJYKS-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
EINECS Number
203-423-0
FEMA Number
2803
MDL Number
MFCD00009515
HSN No
28402090
Molecular Weight
128.21
Boiling Point (Experimental)
167.5 °C Press: 760 Tor
Density (Experimental)
0.81777 g/cm³ Temp: 25.00 °C
Hazard Classes and Categories
Flam. Liq. 3 (99.7%)
GHS Hazard Statements
H226 (99.7%): Flammable liquid and vapor
Flavor and Fragrance Industry
A flavoring agent and fragrance ingredient used to impart sweet, herbal, and fruity notes to various products
Solvent
An organic solvent utilized in the formulation of resins, lacquers, and nitrocellulose coatings
Organic Synthesis
A chemical intermediate used as a building block for the synthesis of pharmaceuticals and fine chemicals
Agriculture
A pheromone component or active ingredient used in pest management and insect attractant formulations