3-Nonen-2-one

Base Information

• Chemical Name: 3-Nonen-2-one
• CAS No.: 14309-57-0
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• Hs Code.: 2914190090
• European Community (EC) Number: 813-141-5,238-248-9
• UNII: FR0K39OF16
• DSSTox Substance ID: DTXSID201316311
• Nikkaji Number: J121.729A,J398.168A
• Wikidata: Q27278142
• Metabolomics Workbench ID: 5514
• Mol file: 14309-57-0.mol

Synonyms:3-NONEN-2-ONE;trans-3-Nonen-2-one;(E)-Non-3-en-2-one;14309-57-0;18402-83-0;(e)-3-nonen-2-one;3-Nonen-2-one, (3E)-;(3E)-NON-3-EN-2-ONE;non-3-en-2-one;(3E)-3-Nonen-2-one;3-Nonen-2-one [FHFI];3-Nonen-2-one, (E)-;FEMA No. 3955;3E-Nonen-2-one;UNII-FR0K39OF16;FR0K39OF16;EINECS 238-248-9;(3E)-nonen-2-one;3-Non-3-en-2-one;(E)-3-nonene-2-one;SCHEMBL159644;trans-3-Nonen-2-one, 95%;CHEBI:133457;DTXSID201316311;LMFA12000133;MFCD00010241;AKOS015916245;AS-56497;CS-0152368;N0592;D91739;EN300-7401434;A846998;A904004;J-011791;Q27278142

Chemical Property of 3-Nonen-2-one

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 0.301mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 201.89 °C at 760 mmHg
• Flash Point: 81.667 °C
• PSA: 17.07000
• Density: 0.835 g/cm³
• LogP: 2.71190
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

3-Nonen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37:Irritating to eyes and respiratory system.
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC(=O)C
• Isomeric SMILES: CCCCC/C=C/C(=O)C
• Uses: 3-Nonen-2-one is a useful organic building block.

Technology Process of 3-Nonen-2-one

There total 14 articles about 3-Nonen-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

oxime of 3-nonen-2-one → Non-3-en-2-on (14309-57-0)

Guidance literature:

With (Bu₄N)₂S₂O₈; In 1,2-dichloro-ethane; for 1.5h; Heating;

DOI:10.1080/00397919908086071

Reference yield: 82.0%

dimethyl (2-oxopropyl)phosphonate (4202-14-6) + hexanal (66-25-1) → Non-3-en-2-on (14309-57-0)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; water; for 12h;

Reference yield: 59.0%

(3E,5E)-nona-3,5-dien-2-one (80387-31-1,152522-81-1) → Non-3-en-2-on (14309-57-0)

Guidance literature:

With <(Bu^t2PH)PdPBu^t2>2 pretreated with O2; hydrogen; In tetrahydrofuran; for 1.5h; Ambient temperature;

DOI:10.1016/00404-0399(50)11207-

upstream raw materials:

hexanal

acetone

2-acetoxy-non-2-ene

1-Heptene

Downstream raw materials:

5-Pentyl-1,3-cyclohexanedione

3-Hydroxy-5-n-pentyl-2-cyclohexen-1-on

(4S,5S)-4-Benzenesulfinyl-3-hydroxy-5-pentyl-cyclohex-2-enone

(4S,5R)-4-Benzenesulfinyl-3-hydroxy-5-pentyl-cyclohex-2-enone