Isoamyl acetate

Base Information

• Chemical Name: Isoamyl acetate
• CAS No.: 123-92-2
• Deprecated CAS: 29732-50-1
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• Hs Code.: 2915390090
• European Community (EC) Number: 204-662-3
• ICSC Number: 0356
• NSC Number: 9260
• UN Number: 1104
• UNII: Z135787824
• DSSTox Substance ID: DTXSID9025453
• Nikkaji Number: J2.012E
• Wikipedia: Isoamyl acetate
• Wikidata: Q221307
• RXCUI: 1368172
• Metabolomics Workbench ID: 44929
• ChEMBL ID: CHEMBL42013
• Mol file: 123-92-2.mol

Synonyms:isoamyl acetate;isopentyl acetate;isopentylacetate

Chemical Property of Isoamyl acetate

Chemical Property:

• Appearance/Colour: colourless liquid with a smell of bananas
• Vapor Pressure: 5.68mmHg at 25°C
• Melting Point: -78 °C
• Refractive Index: n20/D 1.4(lit.)
• Boiling Point: 142.1 °C at 760 mmHg
• Flash Point: 25 °C
• PSA: 26.30000
• Density: 0.879 g/cm³
• LogP: 1.59560
• Water Solubility.: 0.20 g/100 mL. Slightly soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 86.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R10:; R66:
• Safety Statements: S2:; S23:; S25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CC(C)CCOC(=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 vapour is irritating to the eyes and respiratory tract. Exposure to high concentrations of vapour could cause unconsciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of Isoamyl acetate

There total 53 articles about Isoamyl 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%

vinyl acetate (108-05-4,9003-20-7) + i-Amyl alcohol (123-51-3) → 3-methyl-1-butyl acetate (123-92-2)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 4h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 99.0%

i-Amyl alcohol (123-51-3) + acetic acid (64-19-7,77671-22-8) → 3-methyl-1-butyl acetate (123-92-2)

Guidance literature:

copper methanesulfonate; In cyclohexane; at 85 - 90 ℃; for 2.5h;

DOI:10.1080/00304940509355406

Reference yield: 98.0%

i-Amyl alcohol (123-51-3) + acetic anhydride (108-24-7) → 3-methyl-1-butyl acetate (123-92-2)

Guidance literature:

cerium triflate; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)01358-3

upstream raw materials:

acetamide

i-Amyl alcohol

Ketene

diethyl ether

Downstream raw materials:

ethyl acetate

Phenyl acetate

i-Amyl alcohol

peracetic acid

Refernces

• 1、 Guncheva, Maya,Dimitrov, Momtchil,Zhiryakova, Diana. "Nanosized tin dioxide - Unexplored carrier for lipase immobilization". . p. 205 - 209. Retrieved 2011.
• 2、 Corregidor, Pablo F.,Acosta, Delicia E.,Gonzo, Elio E.,Destéfanis, Hugo A.. "Isoamyl acetate preparation from reaction of vinyl acetate and Isoamyl alcohol catalyzed by H-ZSM-5 zeolite: a kinetic study". . . Retrieved 2020.
• 3、 Hu, Zhongqiu,Li, Xiaojing,Wang, Huxuan,Niu, Chen,Yuan, Yahong,Yue, Tianli. "A novel method to quantify the activity of alcohol acetyltransferase Using a SnO2-based sensor of electronic nose". . p. 498 - 504. Retrieved 2016.
• 4、 Ribeiro, Maria E.,Franke, Karen N.,Lima, Patrícia M.,Cardoso, Dilson. "Effect of the properties of MFI zeolites on the esterification of isopentyl acetate". . p. 209 - 214. Retrieved 2021.
• 5、 Normant,J.F. et al.. "-". . p. 3263 - 3266. Retrieved 1977.
• 6、 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.
• 7、 Abd El-Wahab, Mohamed M. M.,El-Gamal, Nadia O.,Goda, Mohamed N.,Said, Abd El-Aziz A.. "A pronounce approach on the catalytic performance of mesoporous natural silica toward esterification of acetic acid with iso-amyl, benzyl, and cinnamyl alcohols". . . Retrieved 2021/12/14.