Isoeugenyl isobutyrate, (E)-

Base Information

Chemical Name:Isoeugenyl isobutyrate, (E)-
CAS No.:84604-51-3
Molecular Formula:C14H18 O3
Molecular Weight:234.295
Hs Code.:
European Community (EC) Number:283-332-0
UNII:L921JM40LR
DSSTox Substance ID:DTXSID101157598
Nikkaji Number:J333.501A
Wikidata:Q27282856
Mol file:84604-51-3.mol

Synonyms:(E)-2-Methoxy-4-prop-1-enylphenyl isobutyrate;Isoeugenyl isobutyrate, (E)-;84604-51-3;UNII-L921JM40LR;L921JM40LR;EINECS 283-332-0;ISOEUGENOL ISOBUTYRATE;Propanoic acid, 2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-;[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate;(E)-2-METHOXY-4-PROP-1-ENYL PHENYL ISOBUTYRATE;ISOBUTYRIC ACID (E)-2-METHOXY-4-(1-PROPENYL)PHENYL ESTER;PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPEN-1-YL)PHENYL ESTER;PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPENYL)PHENYL ESTER;Pseudoisoeugenyl-2-methyl-butyrate;(E)-isoeugenyl isobutyrate;SCHEMBL23532212;Pseudoisoeugenyl 2-methylbutyrate;HEOQGBRLGAJSLZ-AATRIKPKSA-N;DTXSID101157598;Q27282856;Isobutyric acid 2-methoxy-4-[(E)-1-propenyl]phenyl ester;137591-62-9

Suppliers and Price of Isoeugenyl isobutyrate, (E)-

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

Total 6 raw suppliers

Chemical Property of Isoeugenyl isobutyrate, (E)-

Chemical Property:

Vapor Pressure:0.000581mmHg at 25°C
Boiling Point:310.9°C at 760 mmHg
Flash Point:127.1°C
PSA：35.53000
Density:1.039g/cm³
LogP:3.28970
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:271

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC1=CC(=C(C=C1)OC(=O)C(C)C)OC
Isomeric SMILES:C/C=C/C1=CC(=C(C=C1)OC(=O)C(C)C)OC

Technology Process of Isoeugenyl isobutyrate, (E)-

There total 2 articles about Isoeugenyl isobutyrate, (E)- 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: 78.0%

: 84604-53-5
4-allyl-2-methoxyphenyl isobutyrate

: 84604-51-3
(E)-2-methoxy-4-(1-propen-1-yl)phenyl isobutyrate

Guidance literature:: With dichloro-bis-μ-chloro-bis[(1-3η:6-8η)-2,7-dimethyloctadienediyl]diruthenium(II); In methanol; at 80 ℃; for 4h; diastereoselective reaction; Inert atmosphere; Sealed tube;
DOI:10.1016/j.tet.2012.01.083

Reference yield:

: 97-53-0
4-allylguaiacol

: 84604-51-3
(E)-2-methoxy-4-(1-propen-1-yl)phenyl isobutyrate

Guidance literature:: Multi-step reaction with 2 steps

1: dmap; triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

2: dichloro-bis-μ-chloro-bis[(1-3η:6-8η)-2,7-dimethyloctadienediyl]diruthenium(II) / methanol / 4 h / 80 °C / Inert atmosphere; Sealed tube

With dmap; dichloro-bis-μ-chloro-bis[(1-3η:6-8η)-2,7-dimethyloctadienediyl]diruthenium(II); triethylamine; In methanol; dichloromethane;
DOI:10.1016/j.tet.2012.01.083