Geranyl tiglate

Base Information

• Chemical Name: Geranyl tiglate
• CAS No.: 7785-33-3
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.354
• European Community (EC) Number: 232-078-9,616-774-3,934-787-5
• UNII: CUP7SL28J8
• DSSTox Substance ID: DTXSID9047413,DTXSID8069511
• Nikkaji Number: J15.693K
• Wikidata: Q27275815
• Metabolomics Workbench ID: 45401
• ChEMBL ID: CHEMBL3186926
• Mol file: 7785-33-3.mol

Synonyms:Geranyl tiglate;7785-33-3;Tiglic acid, geraniol ester;Geranium extract;[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate;8000-46-2;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E)-;tiglic acid geranyl ester;EINECS 232-078-9;UNII-CUP7SL28J8;cis-alpha,beta-Dimethyl acrylic acid, geraniol ester;CUP7SL28J8;(E)-3,7-Dimethyl-2,6-octadienyl 2-methylcrotonate;AI3-36201;DTXSID9047413;(E)-(E)-3,7-Dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate;trans-3,7-Dimethyl-2,6-octadien-1-yl cis-alpha,beta-dimethyl acrylate;2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (2E)-;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-;61827-81-4;(2E)-3,7-Dimethyl-2,6-octadienyl (2E)-2-methyl-2-butenoate;(2E)-3,7-dimethylocta-2,6-dien-1-yl (2E)-2-methylbut-2-enoate;2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, 2-METHYL-2-BUTENOATE, (E,E,E)-;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester,(2E)-;2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester;Gernyl tiglate;Geranyl?Tiglate;(E)-GERANYL TIGLATE;SCHEMBL874195;SCHEMBL874196;GERANYL TIGLATE [FHFI];CHEMBL3186926;DTXCID7027413;DTXSID8069511;FEMA NO. 4044;2-Butenoic acid, 2(or 3)-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (?,E)-;CHEBI:169735;OGHBUHJLMHQMHS-KRDNBFTESA-N;TIGLIC ACID, GERANYL ESTER;Tox21_302492;LMFA07010898;MFCD00016622;AKOS015836332;NCGC00256644-01;BS-49190;LS-97801;PD087226;CAS-7785-33-3;GERANYL (E)-2-METHYL-2-BUTENOATE;CS-0206129;G0430;Q27275815;cis-.alpha.,.beta.-Dimethyl acrylic acid, geraniol ester;(E)-((E)-3,7-dimethylocta-2,6-dienyl) 2-methylbut-2-enoate;TIGLIC ACID, TRANS-3,7-DIMETHYL-2,6-OCTADIENYL ESTER;(E) - 3,7 - dimethyl - 2,6 - octadienyl 2 - methylcrotonate;2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E)--;trans-3,7-Dimethyl-2,6-octadien-1-yl cis-.alpha.,.beta.-dimethyl acrylate

Chemical Property of Geranyl tiglate

Chemical Property:

• Appearance/Colour: clear colourless to pale yellow liquid
• Vapor Pressure: 0.000332mmHg at 25°C
• Refractive Index: n20/D 1.480-1.484(lit.)
• Boiling Point: 319.7 °C at 760 mmHg
• Flash Point: 152.8 °C
• PSA: 26.30000
• Density: 0.909 g/cm³
• LogP: 4.18850
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Geranyl Tiglate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Geranyl tiglate

There total 2 articles about Geranyl tiglate 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:

methyl (E)-2-methyl-2-butenoate (6622-76-0) + Geraniol (106-24-1) → geranyl tiglate (7785-33-3,93981-55-6)

Guidance literature:

Reference yield:

(E)-2-methylbut-2-enoyl chloride (35660-94-7) + Geraniol (106-24-1) → geranyl tiglate (7785-33-3,93981-55-6)

Guidance literature:

With pyridine; benzene;

upstream raw materials:

(E)-2-methylbut-2-enoyl chloride

Geraniol

methyl (E)-2-methyl-2-butenoate

Refernces