Geranyl propionate

Base Information

• Chemical Name: Geranyl propionate
• CAS No.: 105-90-8
• Molecular Formula: C13H22O2
• Molecular Weight: 210.316
• Hs Code.: 2915509000
• European Community (EC) Number: 203-344-1
• NSC Number: 46138
• UNII: U9F1RPB24G
• DSSTox Substance ID: DTXSID8051540
• Nikkaji Number: J135.831F,J101.830B
• Wikidata: Q10869283
• Metabolomics Workbench ID: 4259
• Mol file: 105-90-8.mol

Synonyms:Geranyl propionate;105-90-8;Geranyl propanoate;FEMA No. 2517;Geranyl propionate (natural);Propionic acid, geranyl ester;2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPANOATE, (E)-;2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-;2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-;EINECS 203-344-1;(E)-3,7-Dimethyl-2,6-octadien-1-ol propionate;[(2E)-3,7-dimethylocta-2,6-dienyl] propanoate;UNII-U9F1RPB24G;U9F1RPB24G;AI3-24355;2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-;DTXSID8051540;3,7-Dimethyl-2,6-octadienyl propanoate, (E)-;3,7-Dimethyl-2,6-octadienyl propionate, (E)-;trans-3,7-Dimethyl-2,6-octadien-1-yl propionate;3,7-Dimethyl-2,6-octadien-1-yl propanoate, trans-;NSC 46138;(E)-3,7-Dimethyl-2,6-octadienyl propionate;3,7-Dimethyl-2,6-octadien-1-yl, propanoate;WE(8:2(2E,6E)(3Me,7Me)/3:0);geranylpropionat-;2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate;Propionic acid, geranyl ester (6CI);geranyl-n-propanoate;Geranyl n-propanoate;Geranyl n-propionate;Geranyl propionate, natural;SCHEMBL356536;SCHEMBL356537;DTXCID9030092;GERANYL PROPIONATE [FCC];2, 3,7-dimethyl-, propanoate;3,6-octadien-1-yl, propanoate;GERANYL PROPIONATE [FHFI];BYCHQEILESTMQU-FMIVXFBMSA-N;NSC46138;Tox21_303994;LMFA07010614;NSC-46138;AKOS024319239;Geranyl propionate, >95%, FCC, FG;LS-2773;NCGC00357214-01;CAS-105-90-8;Geranyl propionate, natural, >=95%, FG;3,7-dimethyl-2,6-octadien-1-yl propionate;(2E)-3,7-Dimethyl-2,6-octadienyl propionate;D96011;trans-3,7-Dimethyl-2,6-Octadienyl propionate;(2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate;(E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate;Propionic acid 3,7-dimethyl-2,6-octadienyl ester;J-001499;J-525003;Trans-3,7-dimethyl-octa-2,6-dien-1-yl propanoate;Q10869283;propanoic acid trans-3,7-dimethyl-oct-2,6-dien-1-ylester

Chemical Property of Geranyl propionate

Chemical Property:

• Vapor Pressure: 3.09Pa at 25℃
• Refractive Index: n20/D 1.456(lit.)
• Boiling Point: 282.425 °C at 760 mmHg
• Flash Point: 97.655 °C
• PSA: 26.30000
• Density: 0.901 g/cm³
• LogP: 3.63230
• Water Solubility.: 2.22mg/L at 25℃
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99.9% ^*data from raw suppliers

Geranyl propionate natural, ≥95%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: CCC(=O)OC/C=C(\C)/CCC=C(C)C
• Description: Geranyl propionate has a fruity, somewhat flowery odor and a bitter taste. Prepared by esterificaiton of geraniol with propionic acid in the presence of a catalyst.
• Uses: Perfumery, flavoring.

Technology Process of Geranyl propionate

There total 9 articles about Geranyl propionate 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: 99.6%

Geraniol (106-24-1) + propionic acid (802294-64-0,79-09-4) → geranyl propionate (105-90-8,27751-90-2)

Guidance literature:

With Candida antarctica lipase B; at 50 ℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;

DOI:10.1039/c2gc36081k

Reference yield: 86.0%

Geraniol (106-24-1) + phenyl(propionyloxy)methyl pivalate → geranyl propionate (105-90-8,27751-90-2)

Guidance literature:

With potassium carbonate; at 90 ℃; for 16h;

DOI:10.1016/j.tet.2018.09.014

Reference yield: 84.4%

Nerol (106-25-2) + propionyl chloride (79-03-8) → geranyl propionate (105-90-8,27751-90-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 12h; Ambient temperature;

upstream raw materials:

Nerol

propionyl chloride

Propionic acid (E)-3,7-dimethyl-7-(2,2,2-trifluoro-acetoxy)-oct-2-enyl ester

Geraniol