4-Oxopentyl acetate

Base Information

• Chemical Name: 4-Oxopentyl acetate
• CAS No.: 5185-97-7
• Molecular Formula: C7H12 O3
• Molecular Weight: 144.17
• Hs Code.: 2915390090
• NSC Number: 1093
• UNII: 6X7196VN2A
• DSSTox Substance ID: DTXSID30199810
• Nikkaji Number: J69.497E
• Wikidata: Q83072802
• Mol file: 5185-97-7.mol

Synonyms:4-Oxopentyl acetate;5185-97-7;4-Ketovaleryl acetate;3-Acetylpropyl acetate;Acetopropyl acetate;2-Pentanone, 5-(acetyloxy)-;5-Acetoxypentan-2-one;ACETOPROPYLACETATE;2-Pentanone, 5-hydroxy-, acetate;5-Hydroxy-2-pentanone acetate;gamma-Acetylpropyl acetate;5-(ACETYLOXY)-2-PENTANONE;NSC 1093;BRN 1756217;.gamma.-Acetylpropyl acetate;6X7196VN2A;NSC-1093;2-Pentanone, 5-(acetyloxy)- (9CI);84952-68-1;2-Pentanone, acetate;3-Acetylpropyl=acetate;1-acetoxypentan-4-one;1-Acetoxy-4-pentanone;5-Acetoxy-2-pentanone;starbld0000710;SCHEMBL305496;UNII-6X7196VN2A;acetic acid 4-oxo-pentyl ester;DTXSID30199810;NSC1093;CH3C(O)O(CH2)3C(O)CH3;MFCD00466609;STK675282;AKOS005593678;CS-16114;LS-101979;CS-0089169;FT-0733837;D74850

Chemical Property of 4-Oxopentyl acetate

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Boiling Point: 213.9°Cat760mmHg
• Flash Point: 85.4°C
• PSA: 43.37000
• Density: 0.996g/cm³
• LogP: 0.91870
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

4-OXOPENTYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCOC(=O)C

Technology Process of 4-Oxopentyl acetate

There total 12 articles about 4-Oxopentyl acetate 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: 94.0%

1,4-Pentanediol (626-95-9) → 5-Hydroxy-2-pentanone (1071-73-4) + 4-oxopentyl acetate (5185-97-7)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide; In acetic acid; for 10h; Ambient temperature;

DOI:10.1021/jo9817164

Reference yield: 80.0%

acetaldehyde (75-07-0,9002-91-9) → 2,5-dihydroxy-2,3,5,6-tetramethyl-1,4-dioxane (23147-57-1) + 4-oxopentyl acetate (5185-97-7) + 7-acetoxy-4-acetoxymethyl-2-heptanone (119197-56-7) + 3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9)

Guidance literature:

at 15 - 20 ℃; for 7h; Further byproducts given; Irradiation;

Reference yield: 80.0%

acetaldehyde (75-07-0,9002-91-9) → 2,5-dihydroxy-2,3,5,6-tetramethyl-1,4-dioxane (23147-57-1) + 4-oxopentyl acetate (5185-97-7) + 3-hydroxy-3-methyl-2,4-pentanedione (7338-73-0) + 7-acetoxy-4-acetoxymethyl-2-heptanone (119197-56-7)

Guidance literature:

at 15 - 20 ℃; for 7h; Yield given. Further byproducts given; Irradiation;

upstream raw materials:

(E)-4,4’,5,5’-tetrahydro-2’H,3H-[2,3’-bifuranylidene]-2’-one

acetic acid

Allyl acetate

acetaldehyde

Downstream raw materials:

3-chloro-3-acetylpropanol

5-Acetoxy-3-chloropentan-2-one

5-Hydroxy-2-pentanone

pent-4-en-2-one

Refernces

• 1、 Griesbaum, Karl,Miclaus, Vasile,Jung, Chan,Quinkert, Ralf-Olaf. "Gas-Phase Reactions of 1,2-Dimethylcyclopentene and of 2,6-Heptanedione with Ozone: Unprecedented Formation of an Ozonide by Ozone Treatment of a Diketone". . p. 627 - 629. Retrieved 2007/10/03.
• 2、 Lipkin, M.A.,Markevich, V.S.. "REACTION OF 2-(2-TETRAHYDROFURYLIDENE)-γ-BUTYROLACTONE WITH ACETIC ACID". . p. 1609. Retrieved 2007/10/02.