3-Pentyl acetate

Base Information

• Chemical Name: 3-Pentyl acetate
• CAS No.: 620-11-1
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2915390090
• NSC Number: 11767
• UNII: UX93PE6EJ9
• DSSTox Substance ID: DTXSID20211030
• Nikkaji Number: J95.658I
• Wikidata: Q83085883
• Mol file: 620-11-1.mol

Synonyms:3-Pentyl acetate;pentan-3-yl acetate;1-Ethylpropyl acetate;3-Pentanol, acetate;620-11-1;1-Ethylpropyl ethanoate;3-PENTYLACETATE;NSC 11767;UX93PE6EJ9;3-Pentanol, acetate (8CI)(9CI);NSC-11767;3-Pentanol, 3-acetate;3-Pentylacetat;3-Amyl acetate;3-Pentyl ethanoate;UNII-UX93PE6EJ9;acetic acid 3-pentyl ester;3-Pentanol, acetate (8CI);SCHEMBL1584634;DTXSID20211030;NSC11767;AKOS006277157;LS-101869

Chemical Property of 3-Pentyl acetate

Chemical Property:

• Vapor Pressure: 7.85mmHg at 25°C
• Melting Point: -74.65°C (estimate)
• Refractive Index: 1.3960
• Boiling Point: 135.1°C at 760 mmHg
• Flash Point: 33.4°C
• PSA: 26.30000
• Density: 0.879g/cm³
• LogP: 1.73810
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

99%, ^*data from raw suppliers

3-PENTYLACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)OC(=O)C

Technology Process of 3-Pentyl acetate

There total 10 articles about 3-Pentyl 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: 80.0%

vinyl acetate (108-05-4,9003-20-7) + 2-pentene (109-68-2) → 2-Pentyl acetate (626-38-0) + 3-pentyl acetate (620-11-1)

Guidance literature:

With ruthenium hydroxide trichloride; In dichloromethane; at 140 ℃; for 3h; Autoclave; Inert atmosphere;

DOI:10.1134/S1070428011020011

Reference yield: 32.0%

lead(IV) tetraacetate (546-67-8) + pentane (109-66-0,8031-35-4,9078-70-0) → 2-Pentyl acetate (626-38-0) + 3-pentyl acetate (620-11-1)

Guidance literature:

In acetic acid; at 80 ℃; for 336h;

DOI:10.1016/S0040-4039(00)89242-4

Reference yield:

acetic acid (64-19-7,77671-22-8) + pentan-3-one (96-22-0) → 2-Pentyl acetate (626-38-0) + 2-pentanol (584-02-1) + 3-pentyl acetate (620-11-1)

Guidance literature:

With palladium on activated carbon; hydrogen; lanthanum(lll) triflate; at 175 ℃; for 15h; under 10343.2 Torr;

DOI:10.1021/cs501965w

upstream raw materials:

3-N-nitroso-N-acetylaminopentane

acetic acid

lead(IV) tetraacetate

pentane

Downstream raw materials:

(Z)-pent-2-ene

(E)-pent-2-ene

pentane

2-pentene

Refernces

• 1、 Khusnutdinov,Shchadneva,Khisamova,Dzhemilev. "Hydroacetoxylation of olefins with acetic acid genetated in situ from vinyl acetate in the presence of ruthenium complexes". experimental part. p. 155 - 160. Retrieved 2011/05/03.
• 2、 Mosher, Melvyn W.,Cox, Jeffery L.. "THE REACTION OF LEAD TETRAACETATE WITH HYDROCARBONS". . p. 3753 - 3756. Retrieved 2007/10/02.