Isobutyl cinnamate

Base Information

Chemical Name:Isobutyl cinnamate
CAS No.:122-67-8
Molecular Formula:C13H16O2
Molecular Weight:204.269
Hs Code.:2916399090
European Community (EC) Number:204-564-0
NSC Number:404181
UNII:4NCI0MR7KP
Nikkaji Number:J260.931B,J9.709H
Wikidata:Q27260243
ChEMBL ID:CHEMBL2286136
Mol file:122-67-8.mol

Synonyms:isobutyl cinnamate

Suppliers and Price of Isobutyl cinnamate

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

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
10 kg
$ 1170.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
10kg-k
$ 1170.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
1 kg
$ 193.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
1kg-k
$ 193.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%
100g
$ 70.20

Sigma-Aldrich
Isobutyl cinnamate ≥98%,FCC,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
sample-k
$ 50.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
100 g
$ 86.00

Sigma-Aldrich
Isobutyl cinnamate ≥98%, FCC, FG
100g-k
$ 86.00

Crysdot
Isobutyl cinnamate 95+%
100g
$ 110.00

Total 112 raw suppliers

Chemical Property of Isobutyl cinnamate

Chemical Property:

Vapor Pressure:0.00141mmHg at 25°C
Refractive Index:n20/D 1.54(lit.)
Boiling Point:296.7 °C at 760 mmHg
Flash Point:157.2 °C
PSA：26.30000
Density:1.003 g/cm³
LogP:2.89900
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:204.115029749
Heavy Atom Count:15
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

Isobutyl cinnamate ≥98%, FCC, FG ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES:CC(C)COC(=O)/C=C/C1=CC=CC=C1
Description Isobutyl cinnamate has a sweet, fruity, balsamic odor and a sweet taste reminiscent of currant. Prepared by heating cinnamyl chloride and isobutyl alcohol.
Uses Perfumery. Isobutyl Cinnamate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid of fruity odor. it is miscible with alco- hol, chloroform, and ether but is practically insoluble in water. storage should be in glass or tin-lined containers. it is used in fruit flavors such as cherry and prune with applications in beverages, ice cream, candy, and baked goods at 1–5 ppm.

Technology Process of Isobutyl cinnamate

There total 5 articles about Isobutyl cinnamate 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: 80.2%

: 108-86-1,52753-63-6
bromobenzene

: 106-63-8,26335-74-0
isobutyl acrylate

: 122-67-8
2-propenoic acid, 3-phenyl-, 2-methylpropyl ester

Guidance literature:: With sodium carbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 10h; Green chemistry;
DOI:10.1007/s11426-014-5072-4

Reference yield: 62.9%

: 78-83-1
2-methyl-propan-1-ol

: 621-82-9
Cinnamic acid

: 122-67-8
2-propenoic acid, 3-phenyl-, 2-methylpropyl ester

Guidance literature:: With sulfuric acid; for 4h; Heating;

Reference yield:

: 110-19-0
2-methylpropyl acetate

: 100-52-7
benzaldehyde

: 122-67-8
2-propenoic acid, 3-phenyl-, 2-methylpropyl ester

Guidance literature:: With aluminum (III) chloride; 1-butyl-3-methyl-3H-imidazol-1-ium fluoride; N,O-bis-(trimethylsilyl)-acetamide; 1-butyl-3-methylimidazolium chloride; In dichloromethane; for 4h; Inert atmosphere;
DOI:10.1039/c7gc02265d