Tiglyl tiglate

Base Information

• Chemical Name: Tiglyl tiglate
• CAS No.: 72845-40-0
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.236
• DSSTox Substance ID: DTXSID80888282
• Metabolomics Workbench ID: 70168
• Nikkaji Number: J447.303E,J246.163C
• Wikidata: Q27108441
• Mol file: 72845-40-0.mol

Synonyms:Tiglyl tiglate;72845-40-0;[(E)-2-methylbut-2-enyl] (E)-2-methylbut-2-enoate;AC1NQY63;2-Methyl-2-butenyl 2-methylcrotonate;C08546;2-Butenoic acid, 2-methyl-, (2E)-2-methyl-2-butenyl ester, (2E)-;2-Butenoic acid, 2-methyl-, (2E)-2-methyl-2-buten-1-yl ester, (2E)-;2-Butenoic acid, 2-methyl-, 2-methyl-2-butenyl ester;2-Butenoic acid, 2-methyl-, 2-methyl-2-buten-1-yl ester;CHEBI:9594;SCHEMBL10914397;SCHEMBL10914400;(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester;DTXSID80888282;LMFA07011026;NS00012858;Q27108441

Chemical Property of Tiglyl tiglate

Chemical Property:

• Vapor Pressure: 0.127mmHg at 25°C
• Boiling Point: 218.2°C at 760 mmHg
• Flash Point: 88.4°C
• PSA: 26.30000
• Density: 0.914g/cm³
• LogP: 2.46200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)COC(=O)C(=CC)C
• Isomeric SMILES: C/C=C(\C)/COC(=O)/C(=C/C)/C

Technology Process of Tiglyl tiglate

There total 1 articles about Tiglyl 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: 21.0%

(E)-2-methyl-2-buten-1-ol (497-02-9) + Angelic acid (565-63-9) → (Z)-2-Methyl-2-butensaeure-(E)-2-methyl-2-butenylester (72845-40-0,73003-76-6)

Guidance literature:

With trifluoroacetic anhydride;

DOI:10.1002/ardp.19893221109

upstream raw materials:

(E)-2-methyl-2-buten-1-ol

Angelic acid

Refernces