Isopropyl butyrate

Base Information Edit

Chemical Name:Isopropyl butyrate
CAS No.:638-11-9
Molecular Formula:C7H14O2
Molecular Weight:130.187
Hs Code.:29156000
European Community (EC) Number:211-320-7
UN Number:2405
UNII:7P33GFV8SS
DSSTox Substance ID:DTXSID5075288
Nikkaji Number:J47.188G
Wikidata:Q27161909
Metabolomics Workbench ID:4318
Mol file:638-11-9.mol

Synonyms:Isopropyl butyrate;638-11-9;Isopropyl butanoate;Butyric acid, isopropyl ester;propan-2-yl butanoate;BUTANOIC ACID, 1-METHYLETHYL ESTER;1-Methylethyl butanoate;Isopropyl n-butyrate;n-Butyric acid isopropyl ester;ISO PROPYL BUTYRATE;2-Propyl butanoate;FEMA No. 2935;UNII-7P33GFV8SS;7P33GFV8SS;Butyric Acid Isopropyl Ester;n-C3H7C(O)OCH(CH3)2;Butanoic acid, 2-methylethyl ester;EINECS 211-320-7;UN2405;WE(2:0(1Me)/4:0);AI3-35952;6381-11-9;Butyric acid isopropyl;Isopropyl butyrate, 99%;butanoic acid isopropyl ester;SCHEMBL120124;DTXSID5075288;CHEBI:89718;FEMA 2935;ISOPROPYL BUTYRATE [FHFI];Isopropyl butyrate, >=98%, FG;LMFA07010673;MFCD00009390;NA2405;AKOS008948343;UN 2405;B0762;FT-0627484;D88682;Isopropyl butyrate [UN2405] [Flammable liquid];Isopropyl butyrate [UN2405] [Flammable liquid];Q27161909

Suppliers and Price of Isopropyl butyrate

Supply Marketing:Edit

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

TRC
Isopropyl butyrate
2.5ml
$ 55.00

TCI Chemical
Isopropyl Butyrate >99.0%(GC)
25mL
$ 18.00

Sigma-Aldrich
Isopropyl butyrate 99%
100ml
$ 52.80

Sigma-Aldrich
Isopropyl butyrate ≥98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Isopropyl butyrate ≥98%, FG
sample-k
$ 50.00

Sigma-Aldrich
Isopropyl butyrate ≥98%, FG
1 kg
$ 272.00

Sigma-Aldrich
Isopropyl butyrate ≥98%, FG
1kg-k
$ 272.00

American Custom Chemicals Corporation
ISOPROPYL BUTYRATE 95.00%
9KG
$ 8313.69

American Custom Chemicals Corporation
ISOPROPYL BUTYRATE 95.00%
1KG
$ 6964.83

AK Scientific
Isopropyl butyrate
1mL
$ 14.00

Total 15 raw suppliers

Chemical Property of Isopropyl butyrate Edit

Chemical Property:

Appearance/Colour:colorless liquid
Vapor Pressure:6 mm Hg ( 20 °C)
Melting Point:-95.2°C (estimate)
Refractive Index:n20/D 1.393(lit.)
Boiling Point:130.5 °C at 760 mmHg
Flash Point:30 °C
PSA：26.30000
Density:0.879 g/cm³
LogP:1.73810
Storage Temp.:Store below +30°C.
Water Solubility.:1.56g/L(temperature not stated)
XLogP3:1.7
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

Isopropyl butyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 10-36/37/38
Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCC(=O)OC(C)C
Description Isopropyl butyrate has a pleasant odor reminiscent of butyric acid. May be synthesized from butyric acid and propylene in presence of concentrated H2S04 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCL or p-toluenesulfonic acid.
Uses Solvent for cellulose ethers, flavoring. Isopropyl butyrate was used as intravaginal taggant in the study of "breath test" for vaginal gel use.

Technology Process of Isopropyl butyrate

There total 25 articles about Isopropyl 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: 97.0%