Hexyl isobutyrate

Base Information Edit

Chemical Name:Hexyl isobutyrate
CAS No.:2349-07-7
Molecular Formula:C10H20 O2
Molecular Weight:172.268
Hs Code.:2915900090
European Community (EC) Number:219-075-8
NSC Number:46108
UNII:5FC79GHU69
DSSTox Substance ID:DTXSID2047519
Nikkaji Number:J68.766I
Wikidata:Q27261966
Metabolomics Workbench ID:47955
ChEMBL ID:CHEMBL3187477
Mol file:2349-07-7.mol

Synonyms:Hexyl isobutyrate;2349-07-7;HEXYL 2-METHYLPROPANOATE;Propanoic acid, 2-methyl-, hexyl ester;n-Hexyl isobutyrate;Hexyl isobutanoate;Isobutyric acid, hexyl ester;1-Hexyl isobutyrate;n-Hexyl isobutanoate;Hexyl 2-methylpropionate;FEMA No. 3172;NSC 46108;Hexyl isobutyrate (natural);5FC79GHU69;DTXSID2047519;EINECS 219-075-8;NSC-46108;BRN 2075011;AI3-19791;Hexyl-2-methylpropionate;caproyl isobutyrate;n-Hexyl iso-butyrate;1-Hexanol isobutyrate;Benzyl-Penicillinic acid;(phenylmethyl)-Penicillin;UNII-5FC79GHU69;SCHEMBL534484;(phenylmethyl)-Penicillinic acid;CHEMBL3187477;DTXCID0027519;HEXYL ISOBUTYRATE [FHFI];CHEBI:179553;Hexyl isobutyrate, >=98%, FG;NSC46108;Tox21_302491;MFCD00027297;AKOS022185053;LS-2813;NCGC00256624-01;AS-12617;CAS-2349-07-7;FT-0627061;Hexyl isobutyrate, natural (US), >=97%, FG;Q27261966

Suppliers and Price of Hexyl isobutyrate

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

Crysdot
Hexylisobutyrate 97%
25g
$ 210.00

Chem-Impex
Hexylisobutyrate,98-100%(GC),meetsFGspecifications,KOSHER,FEMA3172Hazmat 98-100%(GC)
2.5KG
$ 242.28

Chem-Impex
Hexylisobutyrate,98-100%(GC),meetsFGspecifications,KOSHER,FEMA3172Hazmat 98-100%(GC)
100G
$ 34.94

American Custom Chemicals Corporation
HEXYL ISOBUTYRATE 95.00%
1KG
$ 6728.34

American Custom Chemicals Corporation
HEXYL ISOBUTYRATE 95.00%
4KG
$ 6476.09

Ambeed
Hexylisobutyrate 98%
500g
$ 33.00

Ambeed
Hexylisobutyrate 98%
100g
$ 13.00

Ambeed
Hexylisobutyrate 98%
25g
$ 6.00

Ambeed
Hexylisobutyrate 98%
1kg
$ 55.00

AK Scientific
Hexylisobutyrate
100g
$ 49.00

Total 28 raw suppliers

Chemical Property of Hexyl isobutyrate Edit

Chemical Property:

Appearance/Colour:Colorless liquid with fresh apple-pineapple like odor
Vapor Pressure:0.413mmHg at 25°C
Melting Point:-78°C (estimate)
Refractive Index:n20/D 1.413(lit.)
Boiling Point:199°C
Flash Point:164 ºF
PSA：26.30000
Density:0.86
LogP:2.76590
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:58.21mg/L at 20℃
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:119

Purity/Quality:

99.9% ^*data from raw suppliers

Hexylisobutyrate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCOC(=O)C(C)C
Description Hexyl isobutyrate has a powerful, somewhat harsh fruity aroma. May be synthesized by direct esterification of n-hexanol with isobutyric acid.

Technology Process of Hexyl isobutyrate

There total 3 articles about Hexyl isobutyrate 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: 96.4%