Geranyl crotonate

Base Information

• Chemical Name: Geranyl crotonate
• CAS No.: 56172-46-4
• Molecular Formula: C₁₄H₂₂O₂
• Molecular Weight: 222.327
• European Community (EC) Number: 260-027-0
• NSC Number: 97417
• DSSTox Substance ID: DTXSID40866541
• Nikkaji Number: J65.642I,J107.427J
• Mol file: 56172-46-4.mol

Synonyms:Geranyl crotonate;Geraniol crotonate;56172-46-4;Geranyl-2-butenoate;Crotonic acid, geraniol ester;EINECS 260-027-0;AI3-04114;3,7-Dimethyl-2-trans, 6-octadienyl crotonate;(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate;2-Butenoic acid, 3,7-dimethyl-2,6-octadienyl ester;trans-3,7-Dimethyl-2,6-octadien-1-ol, 2-butenoate;2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester;2-Butenoic acid, 3,7-dimethyl-2,6-octadienyl ester, (?,E)-;2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, 2-BUTENOATE, (E)-;2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester;SCHEMBL2125723;SCHEMBL2125727;DTXSID40866541;NSC97417;NSC-97417;LS-97799;2-Butenoic acid (E)-3,7-dimethyl-2,6-octadienyl ester;(2E)-3,7-Dimethyl-2,6-octadien-1-yl (2E)-2-butenoate;(,E) - 3,7 - dimethyl - 2,6 - octadienyl 2 - butenoate;1033763-06-2

Chemical Property of Geranyl crotonate

Chemical Property:

• Vapor Pressure: 0.00091mmHg at 25°C
• Refractive Index: 1.4576 (estimate)
• Boiling Point: 303.8°Cat760mmHg
• Flash Point: 144.6°C
• PSA: 26.30000
• Density: 0.912g/cm³
• LogP: 3.79840
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

99.9% ^*data from raw suppliers

GERANYL CROTONATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: C/C=C/C(=O)OC/C=C(\C)/CCC=C(C)C

Technology Process of Geranyl crotonate

There total 1 articles about Geranyl crotonate 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:

2-butenoic acid (3724-65-0) + Geraniol (106-24-1) → trans-crotonic acid-(3,7-dimethyl-octa-2,6-dienyl ester) (56172-46-4,71648-17-4,92369-22-7)

Guidance literature:

With chlorobenzene; at 135 - 140 ℃;

upstream raw materials:

2-butenoic acid

Geraniol