1-Phenylethyl isobutyrate

Base Information

Chemical Name:1-Phenylethyl isobutyrate
CAS No.:7775-39-5
Molecular Formula:C12H16O2
Molecular Weight:192.258
Hs Code.:
European Community (EC) Number:231-894-2
UNII:K9REG8PIWP
DSSTox Substance ID:DTXSID50864119
Nikkaji Number:J183.040F
Wikidata:Q27282137
Metabolomics Workbench ID:47900

Synonyms:alpha-methylbenzyl isobutyrate

Suppliers and Price of 1-Phenylethyl isobutyrate

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
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price

Total 24 raw suppliers

Chemical Property of 1-Phenylethyl isobutyrate

Chemical Property:

Vapor Pressure:0.0326mmHg at 25°C
Refractive Index:1.493
Boiling Point:243.1 °C at 760 mmHg
Flash Point:91.3 °C
PSA：26.30000
Density:0.996 g/cm³
LogP:2.94680
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:181

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)OC(C)C1=CC=CC=C1
Description α-Methylbenzyl isobutyrate has a jasmine-like, floral odor. May be prepared by esterification (under azeotropic conditions) of methylphenylcarbinol with isobutyric acid.

Technology Process of 1-Phenylethyl isobutyrate

There total 4 articles about 1-Phenylethyl 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: 100.0%

: 98-85-1,13323-81-4
1-Phenylethanol

: 97-72-3
2-Methylpropionic anhydride

: 7775-39-5
isobutyric acid 1-phenyl-ethyl ester

Guidance literature:: With bifunctional polymer; In toluene; at 20 ℃; for 1h;
DOI:10.1055/s-0035-1560415

Reference yield: 89.0%

: 98-85-1,13323-81-4
1-Phenylethanol

: 69638-94-4
isopropenyl isobutyrate

: 7775-39-5
isobutyric acid 1-phenyl-ethyl ester

Guidance literature:: With Zeolite NaA; neodymium (III) isopropoxide; In n-heptane; at 50 ℃; for 0.25h;
DOI:10.1039/b413944e

Reference yield:

: 1468-39-9
Isovaleric anhydride

: 98-85-1,13323-81-4
1-Phenylethanol

: 7775-39-5
isobutyric acid 1-phenyl-ethyl ester

Guidance literature:: With 4-mesityl-6-methyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 - 25 ℃;
DOI:10.1021/jo200984n