Pentyl butyrate

Base Information

Chemical Name:Pentyl butyrate
CAS No.:540-18-1
Molecular Formula:C9H18 O2
Molecular Weight:158.241
Hs Code.:2915600000
European Community (EC) Number:208-739-2
NSC Number:7935
UN Number:2620
UNII:3Q2JP0VD8J
DSSTox Substance ID:DTXSID4041604
Nikkaji Number:J2.633F
Wikipedia:Pentyl_butyrate
Wikidata:Q419484
Metabolomics Workbench ID:46392
ChEMBL ID:CHEMBL3183048
Mol file:540-18-1.mol

Synonyms:amyl butyrate;n-amyl butyrate

Suppliers and Price of Pentyl butyrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
Amyl Butyrate >98.0%(GC)
25mL
$ 20.00

TCI Chemical
Amyl Butyrate >98.0%(GC)
500mL
$ 131.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
1 kg
$ 90.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
1kg-k
$ 90.00

Sigma-Aldrich
Amyl Butyrate ≥98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
sample-k
$ 50.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
9 kg
$ 412.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
9kg-k
$ 412.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
20 kg
$ 676.00

Sigma-Aldrich
Amyl Butyrate ≥98%, FG
20kg-k
$ 676.00

Total 19 raw suppliers

Chemical Property of Pentyl butyrate

Chemical Property:

Appearance/Colour:colourless to pale yellow liquid
Vapor Pressure:0.608mmHg at 25°C
Melting Point:-73.2°
Refractive Index:n20/D 1.41(lit.)
Boiling Point:184-188 ºC(lit.)
Flash Point:154 ºF
PSA：26.30000
Density:0.863
LogP:2.51990
Solubility.:miscible with Ether,Alcohol
Water Solubility.:174.1mg/L(20 oC)
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Heavy Atom Count:11
Complexity:99.7
Transport DOT Label:Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Amyl Butyrate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCOC(=O)CCC
Uses Amyl Butyrate has been used in such flavors as apricot, pineapple, pear, plum, and sparingly in some perfume compositions.

Technology Process of Pentyl butyrate

There total 8 articles about Pentyl butyrate 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: 97.2%

: 71-41-0
pentan-1-ol

: 107-92-6
butyric acid

: 540-18-1
pentyl butyrate

Guidance literature:: With salicylic acid resin supported FeCl₃; In benzene; at 125 ℃; for 2.05h;

Reference yield: 5.0%

: 71-41-0
pentan-1-ol

: 141-75-3
butyryl chloride

: 540-18-1
pentyl butyrate

Guidance literature:: With cesium fluoride; In acetonitrile; at 82 ℃;
DOI:10.1016/j.tet.2005.03.126

Reference yield:

: 4485-09-0
nonan-4-one

: 540-18-1
pentyl butyrate

Guidance literature:: With phosphite dehydrogenase; Cyanidioschyzon merolae strain 10D (NIES-1332) Baeyer-Villiger monooxygenase; Phosphate; NADPH; In 1,4-dioxane; at 25 ℃; pH=7.5; Reagent/catalyst; regioselective reaction; Enzymatic reaction;
DOI:10.1016/j.molcatb.2013.10.006