(2E)-3,7-Dimethyl-2,6-octadienyl benzoate

Base Information Edit

Chemical Name:(2E)-3,7-Dimethyl-2,6-octadienyl benzoate
CAS No.:94-48-4
Molecular Formula:C17H22O2
Molecular Weight:258.36
Hs Code.:
Nikkaji Number:J1.693.913G
Mol file:94-48-4.mol

Synonyms:(2E)-3,7-Dimethyl-2,6-octadienyl benzoate;2,4-dimethyl-benzylamine;SCHEMBL5605086;2,4-Dimethyl-Benzenemethanamine;FEMA 2511;(2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL BENZOATE

Suppliers and Price of (2E)-3,7-Dimethyl-2,6-octadienyl benzoate

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

AK Scientific
Geranylbenzoate
1g
$ 41.00

Total 11 raw suppliers

Chemical Property of (2E)-3,7-Dimethyl-2,6-octadienyl benzoate Edit

Chemical Property:

Vapor Pressure:1.76E-05mmHg at 25°C
Refractive Index:n20/D 1.517(lit.)
Boiling Point:363.8 °C at 760 mmHg
Flash Point:153.4 °C
Density:0.983 g/cm³
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:258.161979940
Heavy Atom Count:19
Complexity:329

Purity/Quality:

98% ^*data from raw suppliers

Geranylbenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCOC(=O)C1=CC=CC=C1)C)C
Isomeric SMILES:CC(=CCC/C(=C\COC(=O)C1=CC=CC=C1)/C)C
Description Geranyl benzoate has a sweet, light odor reminiscent of ylangylang. It may be synthesized from geraniol and benzoyl chloride in anhydrous pyridine; also from geraniol and benzoyl chloride using the Schotten-Bauman reaction.

Technology Process of (2E)-3,7-Dimethyl-2,6-octadienyl benzoate

There total 18 articles about (2E)-3,7-Dimethyl-2,6-octadienyl benzoate 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: 99.0%

: 106-24-1
Geraniol

: 98-88-4
benzoyl chloride

: 94-48-4
(E)-geranyl benzoate

Guidance literature:: With pyridine; dmap; In diethyl ether; for 20h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.0c02638

Reference yield: 99.0%

: 93-58-3,5705-52-2,80226-58-0
benzoic acid methyl ester

: 106-24-1
Geraniol

: 94-48-4
(E)-geranyl benzoate

Guidance literature:: With lanthanum(III) isopropoxide; 2-(2-methoxyethoxy)ethyl alcohol; In hexane; chemoselective reaction; Reflux;
DOI:10.1021/ol102753n