2-Nonanone

Base Information

• Chemical Name: 2-Nonanone
• CAS No.: 821-55-6
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 2914.19 Oral rat LD50: 3200 mg/kg
• European Community (EC) Number: 212-480-0
• NSC Number: 14760
• UN Number: 1224
• UNII: ZE5K73YN2Z
• DSSTox Substance ID: DTXSID2022125
• Nikkaji Number: J7.123D
• Wikidata: Q15726063
• Metabolomics Workbench ID: 5458
• ChEMBL ID: CHEMBL2228473
• Mol file: 821-55-6.mol

Synonyms:2-nonanone

Chemical Property of 2-Nonanone

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid
• Vapor Pressure: 0.645mmHg at 25°C
• Melting Point: -21 °C(lit.)
• Refractive Index: 1.427
• Boiling Point: 193.5 °C at 760 mmHg
• Flash Point: 65.7 °C
• PSA: 17.07000
• Density: 0.816 g/cm³
• LogP: 2.93590
• Water Solubility.: ca 0.5 g/L
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 86.7
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn:Harmful
• Statements: R20:; R36:
• Safety Statements: S26:; S39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCCC(=O)C

Technology Process of 2-Nonanone

There total 156 articles about 2-Nonanone 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%

non-1-ene (124-11-8) → 2-Nonanone (821-55-6)

Guidance literature:

With Pd(II)(15-crown-5-phen)Cl₂; dinitrogen monoxide; In N,N-dimethyl acetamide; water; at 150 ℃; for 18h; under 2250.23 Torr;

Reference yield: 95.0%

2-(nonan-2-yl)-1,3-dioxolane (14447-29-1) → 2-Nonanone (821-55-6)

Guidance literature:

With ammonium cerium(IV) nitrate; water; In acetonitrile; at 60 ℃; for 0.5h; pH=8;

DOI:10.1002/(SICI)1521-3773(19991102)38:21<3207::AID-ANIE3207>3.0.CO;2-I

Reference yield: 93.0%

Non-3-en-2-on (14309-57-0) → 2-Nonanone (821-55-6)

Guidance literature:

With CuF(PPh₃)3*2MeOH; bis[2-(diphenylphosphino)phenyl] ether; In toluene; at 25 ℃; for 15h; chemoselective reaction; Inert atmosphere;

DOI:10.2478/s11696-013-0380-2

upstream raw materials:

azelaic acid

octanol

ethanol

non-1-ene

Downstream raw materials:

nonan-2-one-(2,4-dinitro-phenylhydrazone)

(2-heptyl-2-methyl-[1,3]dioxolan-4-yl)-methanol

2-Heptyl-2-methyl-thiazolidine

2-methyl-1-nonanal

Refernces

• 1、 Li, Huafeng,Ma, Pengtao,Niu, Jingyang,Song, Junpeng,Wang, Jingping,Wang, Yaqiong,Zhao, Xue,Zou, Yan. "Ru(iii) -based polyoxometalate tetramers as highly efficient heterogeneous catalysts for alcohol oxidation reactions at room temperature". . p. 12664 - 12673. Retrieved 2021/09/28.
• 2、 Beltran, Frédéric,Bergamaschi, Enrico,Funes-Ardoiz, Ignacio,Teskey, Christopher J.. "Photocontrolled Cobalt Catalysis for Selective Hydroboration of α,β-Unsaturated Ketones". supporting information. p. 21176 - 21182. Retrieved 2020/09/17.