7-Hexadecanone

Base Information

• Chemical Name: 7-Hexadecanone
• CAS No.: 45206-91-5
• Molecular Formula: C16H32 O
• Molecular Weight: 240.429
• Hs Code.: 2914190090
• European Community (EC) Number: 256-205-2
• NSC Number: 158525
• DSSTox Substance ID: DTXSID60196433
• Nikkaji Number: J319.953C
• Wikidata: Q83069479
• ChEMBL ID: CHEMBL3273573
• Mol file: 45206-91-5.mol

Synonyms:7-Hexadecanone;Hexadecan-7-one;45206-91-5;EINECS 256-205-2;7-?Hexadecanone;NSC158525;n-Hexyl n-nonyl ketone;SCHEMBL1604602;CHEMBL3273573;DTXSID60196433;NSC 158525;NSC-158525;CS-0147096;FT-0639845;E81897

Chemical Property of 7-Hexadecanone

Chemical Property:

• Vapor Pressure: 0.000708mmHg at 25°C
• Melting Point: 40-41°C
• Refractive Index: 1.4440 (estimate)
• Boiling Point: 307.8°Cat760mmHg
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.829g/cm³
• LogP: 5.66660
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 240.245315640
• Heavy Atom Count: 17
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

7-HEXADECANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)CCCCCC

Technology Process of 7-Hexadecanone

There total 12 articles about 7-Hexadecanone 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: 91.0%

octanol (111-87-5) + hexyl-methyl-ketone (111-13-7) → hexadecan-7-one (45206-91-5)

Guidance literature:

With air; barium hydroxide monohydrate; nano-Pd-V catalyst; In water; at 100 ℃; for 24h; Product distribution / selectivity;

Reference yield: 65.0%

octanol (111-87-5) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → 1-hexyl decanol (591-72-0) + hexadecan-7-one (45206-91-5)

Guidance literature:

With [Ru(P(NOH)₂)Cl₂(PPh₃)]; sodium hydroxide; In toluene; at 150 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.7b02042

Reference yield:

Hexadecane (544-76-3) → 1-hexyl decanol (591-72-0) + hexadecan-7-one (45206-91-5) + hexadecan-6-one (57661-23-1) + hexadecan-5-one (41903-81-5) + hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With Na₁₀[{Sb^V(OH)₃}₂{V^IVO(H₂O)}₂{Sb^IIIW₉O₃₃}₂]*32H₂O; at 150 ℃; for 6h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.ica.2013.06.001

upstream raw materials:

1-iodononane

1-Iodohexane

1-Bromononane

Heptanoic acid chloride

Refernces

• 1、 Takeuchi, Michiki,Kishino, Shigenobu,Park, Si-Bum,Kitamura, Nahoko,Ogawa, Jun. "Characterization of hydroxy fatty acid dehydrogenase involved in polyunsaturated fatty acid saturation metabolism in Lactobacillus plantarum AKU 1009a". . p. 7 - 12. Retrieved 2015/05/13.
• 2、 Wang, Bin,Xu, Ling-Xiao,Meng, Rui-Qi,Suo, Lin,Li, Bao,Wu, Li-Xin,Bi, Li-Hua. "A new vanadium(IV)-bridged polyoxotungstate containing mixed valence-antimony(III,V)". . p. 274 - 278. Retrieved 2013/10/22.