2-Nonanone, 5-ethyl-

Base Information

• Chemical Name: 2-Nonanone, 5-ethyl-
• CAS No.: 5440-89-1
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 226-626-6
• NSC Number: 20785
• DSSTox Substance ID: DTXSID50863541
• Nikkaji Number: J210.478D
• Mol file: 5440-89-1.mol

Synonyms:5-Ethylnonan-2-one;2-Nonanone, 5-ethyl-;5440-89-1;5-Ethyl-2-nonanone;EINECS 226-626-6;NSC 20785;NSC20785;5-ethyl-2 nonanone;SCHEMBL5470163;DTXSID50863541;NSC-20785;AKOS010938562

Chemical Property of 2-Nonanone, 5-ethyl-

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Boiling Point: 217.7°Cat760mmHg
• Flash Point: 81.8°C
• PSA: 17.07000
• Density: 0.82g/cm³
• LogP: 3.57200
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 118

Purity/Quality:

99.9% ^*data from raw suppliers

5-ETHYLNONAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CCC(=O)C

Technology Process of 2-Nonanone, 5-ethyl-

There total 9 articles about 2-Nonanone, 5-ethyl- 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: 98.0%

(E)-5-ethyl-3-nonen-2-one (138509-47-4) → 5-ethyl-2-nonanone (5440-89-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 64h; under 15001.2 - 18751.5 Torr; Ambient temperature;

Reference yield: 25.0%

2-Ethylhexyl alcohol (104-76-7) + acetone (67-64-1) → 5-ethyl-2-nonanone (5440-89-1)

Guidance literature:

With potassium phosphate; dodecane; 5%-palladium/activated carbon; In toluene; at 200 ℃; for 20h; Sealed tube;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + acetone (67-64-1) + butan-1-ol (71-36-3) → n-pentyl methyl ketone (110-43-0) + dipentyl ketone (927-49-1) + 5-ethyl-2-nonanone (5440-89-1) + 9-ethyltridecan-6-one (1412872-66-2) + 5,11-diethylpentadecan-8-one (16493-85-9)

Guidance literature:

With cerium(IV) oxide; palladium on activated charcoal; at 250 ℃; for 2h; Overall yield = 51.3 %Chromat.; Sealed tube;

upstream raw materials:

5-ethyl-nona-3,5-dien-2-one

5-ethyl-non-3-en-2-one

(E)-5-ethyl-3-nonen-2-one

methanol

Downstream raw materials:

3,9-diethyl-tridecan-6-ol