4-Decanone

Base Information

• Chemical Name: 4-Decanone
• CAS No.: 624-16-8
• Molecular Formula: C10H20O
• Molecular Weight: 156.268
• Hs Code.: 2914190090
• European Community (EC) Number: 210-832-8
• UNII: 502V1W8KD4
• DSSTox Substance ID: DTXSID40211451
• Nikkaji Number: J79.761H
• Wikidata: Q31838922
• Metabolomics Workbench ID: 5451
• Mol file: 624-16-8.mol

Synonyms:4-DECANONE;decan-4-one;624-16-8;Hexyl propyl ketone;Propyl hexyl ketone;502V1W8KD4;EINECS 210-832-8;Decan-1-oyl chloride;n-Propyl n-hexyl ketone;SCHEMBL52401;UNII-502V1W8KD4;MKJDUHZPLQYUCB-UHFFFAOYSA-;DTXSID40211451;LMFA12000045;MFCD00009542;AKOS009156946;BS-28925;CS-0206235;D1535;FT-0618327;D89875

Chemical Property of 4-Decanone

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.211mmHg at 25°C
• Melting Point: -9 °C
• Refractive Index: 1.423-1.425
• Boiling Point: 206-207 °C
• Flash Point: 71 °C
• PSA: 17.07000
• Density: 0.82
• LogP: 3.32600
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 97

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Decanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCC(=O)CCC

Technology Process of 4-Decanone

There total 46 articles about 4-Decanone 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: 99.0%

4-decanol (2051-31-2) → decan-4-one (624-16-8)

Guidance literature:

With dihydrogen peroxide; In water; tert-butyl alcohol; at 80 ℃; for 24h;

DOI:10.1021/ol101839m

Reference yield: 93.0%

pentan-1-ol (71-41-0) + 2-Pentanone (107-87-9) → decan-4-one (624-16-8)

Guidance literature:

With Mg-Al hydrotalcite; calcium hydroxide; at 120 ℃; Autoclave;

Reference yield: 92.0%

C12H26O2 (1002330-79-1) → decan-4-one (624-16-8)

Guidance literature:

With water; potassium carbonate; K₁₂[Ga₄(N,N'-bis(2,3-diOHbenzoyl)-1,5-diaminonaphthalene)6]; at 50 ℃; for 6h; pH=10;

DOI:10.1002/anie.200703371

upstream raw materials:

4-decanol

1-iodo-propane

1-hexene

diacetyl peroxide

Downstream raw materials:

4-decanol

oenanthic acid

propionic acid

decane

Refernces

• 1、 -. "METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL". Paragraph 0495-0496. . Retrieved 2021/02/19.
• 2、 Maeda, Hironori,Nara, Hideki,Shimizu, Hideo. "Highly productive α-alkylation of ketones with alcohols mediated by an Ir-oxalamidato/solid base catalyst system". supporting information. p. 2772 - 2779. Retrieved 2020/12/29.