2,3-Pentanedione

Base Information

• Chemical Name: 2,3-Pentanedione
• CAS No.: 600-14-6
• Deprecated CAS: 1341-45-3
• Molecular Formula: C5H8O2
• Molecular Weight: 100.117
• Hs Code.: 2914.19
• European Community (EC) Number: 209-984-8
• NSC Number: 7613
• UNII: K4WBE45SCM
• DSSTox Substance ID: DTXSID6051435
• Nikkaji Number: J69.485A
• Wikipedia: Acetylpropionyl
• Wikidata: Q19903182
• Metabolomics Workbench ID: 44976
• ChEMBL ID: CHEMBL192809
• Mol file: 600-14-6.mol

Synonyms:2,3-pentanedione;acetyl propionyl

Chemical Property of 2,3-Pentanedione

Chemical Property:

• Appearance/Colour: Yellow-green oily liquid
• Vapor Pressure: 28.5 hPa (20 °C)
• Melting Point: -52 °C
• Refractive Index: 1.404 ± 0.002
• Boiling Point: 108 °C at 760 mmHg
• Flash Point: 19.7 °C
• PSA: 34.14000
• Density: 0.958 g/cm³
• LogP: 0.55450
• Storage Temp.: 2-8°C
• Solubility.: 60g/l
• Water Solubility.: 60 g/L (15 ºC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 94.3

Purity/Quality:

99% ^*data from raw suppliers

2,3-Pentanedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCC(=O)C(=O)C
• Uses: 2,3-Pentanedione may be used as a reference standard in the determination of 2,3-pentanedione in beer samples using headspace-gas chromatographic technique (HS-GC).

Technology Process of 2,3-Pentanedione

There total 83 articles about 2,3-Pentanedione 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: 100.0%

CpRe(CO)2(COCH3)(CH3) + 3,4-hexanedione (4437-51-8) → tricarbonylcyclopentadienylrhenium + 2,3-Pentanedione (600-14-6) + dimethylglyoxal (431-03-8) + acetone (67-64-1)

Guidance literature:

With CO; In benzene-d6; Irradiation (UV/VIS); 355-385 nm;;

DOI:10.1021/ja00186a021

Reference yield: 81.5%

LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) → 2,3-Pentanedione (600-14-6)

Guidance literature:

With aluminum oxide; potassium fluoride; at 200 ℃; Reagent/catalyst;

Reference yield: 73.0%

3-chloro-3-(ethylthio)-2-pentanone (303186-51-8) → 2,3-Pentanedione (600-14-6)

Guidance literature:

With water; mercury dichloride; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1016/S0040-4020(00)00604-9

upstream raw materials:

LACTIC ACID

3-penten-2-one

2-pentanol

4-penten-3-one

Downstream raw materials:

pentane-2,3-dione-2-phenylhydrazone

pentane-2,3-dione-bis-phenylhydrazone

2,3-pentanediol

3-Hydroxy-2-pentanone

Refernces

• 1、 Tang, Congming,Zhai, Zhanjie,Li, Xinli,Sun, Liangwei,Bai, Wei. "Highly efficient and robust Mg0.388Al2.408O4 catalyst for gas-phase decarbonylation of lactic acid to acetaldehyde". . p. 206 - 217. Retrieved 2015.
• 2、 Yan, Bo,Mahmood, Azhar,Liang, Yu,Xu, Bo-Qing. "Sustainable production of acrylic acid: Rb+- and Cs+-exchanged Beta zeolite catalysts for catalytic gas-phase dehydration of lactic acid". . p. 65 - 73. Retrieved 2016.
• 3、 Li, Xinli,Sun, Liangwei,Zou, Weixin,Cao, Ping,Chen, Zhi,Tang, Congming,Dong, Lin. "Efficient Conversion of Bio-Lactic Acid to 2,3-Pentanedione on Cesium-Doped Hydroxyapatite Catalysts with Balanced Acid–Base Sites". . p. 4621 - 4627. Retrieved 2017.
• 4、 -. "Synthesis method of pentanediol and synthesis method for preparing biomass-based linear pentadiene based on lactic acid conversion". Paragraph 0204-0206; 0211-0213; 0218-0220; 0225-0227. . Retrieved 2021/05/19.
• 5、 -. "Preparation Method for 2,3-pentanedione". Paragraph 0018-0033. . Retrieved 2019/04/25.