Pentyl acetate

Base Information

• Chemical Name: Pentyl acetate
• CAS No.: 628-63-7
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• Hs Code.: 29153930
• European Community (EC) Number: 211-047-3
• ICSC Number: 0218
• NSC Number: 7923
• UN Number: 1104
• UNII: 92Q24NH7AS
• DSSTox Substance ID: DTXSID1027263
• Nikkaji Number: J1.224F
• Wikipedia: Amyl_acetate
• Wikidata: Q416972
• NCI Thesaurus Code: C77453
• RXCUI: 1370452
• Metabolomics Workbench ID: 3821
• ChEMBL ID: CHEMBL47769
• Mol file: 628-63-7.mol

Synonyms:amyl acetate;pentyl acetate

Chemical Property of Pentyl acetate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 4 mm Hg ( 20 °C)
• Melting Point: -100 °C(lit.)
• Refractive Index: n20/D 1.402(lit.)
• Boiling Point: 149.9 °C at 760 mmHg
• Flash Point: 23.9 °C
• PSA: 26.30000
• Density: 0.876 g/cm³
• LogP: 1.73970
• Storage Temp.: Flammables area
• Solubility.: 10g/l
• Water Solubility.: 10 g/L (20 ºC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 79
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Amyl Acetate >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-66
• Safety Statements: 23-25-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCCCOC(=O)C
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Physical properties: Colorless liquid with a sweet, banana-like odor. A detection odor threshold concentration of 275 μg/m3 (52 ppbv) was reported by Punter (1983). Cometto-Mu?iz and Cain (1991) reported an average nasal pungency threshold concentration of 1,650 ppmv.
• Uses: Banana essence. Used as test odorant in studies of olfactory function and in studies of the psychosocial effects of odor. A colorless liquid made by adding sulfuric acid to a mixture of amyl alcohol and acetic acid with subsequent recovery by distillation. It is slightly soluble in water but insoluble in alcohol. Amyl acetate was used as one of the solvents in making celluloid film and as fuel for the Alteneck lamp, adopted as the standard light in sensitometry by the International Congress of Photography in 1889. n-Amyl acetate is used as a solvent forlacquers and paints; in fabrics’ printing; innail polish; and as a flavoring agent.

Technology Process of Pentyl acetate

There total 50 articles about 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: 99.0%

pentan-1-ol (71-41-0) + acetic anhydride (108-24-7) → 1-pentyl acetate (628-63-7)

Guidance literature:

With SiO₂-supported Co(II) Salen complex catalyst; at 50 ℃; for 0.833333h;

DOI:10.1016/j.tetlet.2008.11.024

Reference yield: 97.0%

pentan-1-ol (71-41-0) + acetic anhydride (108-24-7) → 1-pentyl acetate (628-63-7) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe₂O₃; at 20 ℃; for 0.833333h;

DOI:10.1016/j.jmmm.2015.10.044

Reference yield: 97.0%

pentan-1-ol (71-41-0) + acetic acid (64-19-7,77671-22-8) → 1-pentyl acetate (628-63-7)

Guidance literature:

With K5; for 1h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

upstream raw materials:

Ketene

pentan-1-ol

1-Chloropentane

sodium acetate

Downstream raw materials:

acetic acid methyl ester

ethanol

1-penten

ethyl acetate

Refernces

• 1、 Cohen et al.. "". . p. 1274,1277,1278. Retrieved 1961.
• 2、 Hamerski, Fabiane,Dusi, Giovana Gon?alves,Fernandes dos Santos, Julia Trancoso,da Silva, Vítor Renan,Pedersen Voll, Fernando Augusto,Corazza, Marcos Lúcio. "Esterification reaction kinetics of acetic acid and n-pentanol catalyzed by sulfated zirconia". . p. 499 - 512. Retrieved 2020.
• 3、 Shahnavaz, Zohreh,Zaharani, Lia,Khaligh, Nader Ghaffari,Mihankhah, Taraneh,Johan, Mohd Rafie. "Synthesis, Characterisation, and Determination of Physical Properties of New Two-Protonic Acid Ionic Liquid and its Catalytic Application in the Esterification". . p. 165 - 172. Retrieved 2020/10/26.
• 4、 Alhaddad, Maha,Chakraborty, Priyanka,Hu, Jinsong,Huang, Kuo-Wei. "Alkyl substituted 4-N-oxazadisilinane cations: A new family of Si protic ionic liquids and its application on esterification reactions". supporting information. . Retrieved 2020/06/08.