Propyl tiglate

Base Information

• Chemical Name: Propyl tiglate
• CAS No.: 61692-83-9
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 2916190090
• European Community (EC) Number: 262-906-4
• DSSTox Substance ID: DTXSID401317472
• Nikkaji Number: J107.435K
• Wikidata: Q67880064
• Mol file: 61692-83-9.mol

Synonyms:Propyl tiglate;61692-83-9;propyl (E)-2-methylbut-2-enoate;Propyl 2-methylcrotonate;EINECS 262-906-4;2-Butenoic acid, 2-methyl-, propyl ester, (E)-;AI3-33795;2-Butenoic acid, 2-methyl-, propyl ester, (2E)-;Propyltiglate;n-Propyl tiglate;Propyl trans-2-methyl-2-butenoate;SCHEMBL730199;RZWMDOQSXWAAMC-FNORWQNLSA-N;(E)-propyl 2-methylbut-2-enoate;DTXSID401317472;AKOS006280827;Propyl (2E)-2-methyl-2-butenoate #;W-105111;Q67880064

Chemical Property of Propyl tiglate

Chemical Property:

• Vapor Pressure: 1.39mmHg at 25°C
• Refractive Index: n20/D 1.4371(lit.)
• Boiling Point: 176-180 ºC
• Flash Point: 137 ºF
• PSA: 26.30000
• Density: 0.902 g/cm³
• LogP: 1.90580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

PROPYL TIGLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propyl tiglate

There total 2 articles about Propyl 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: 55.0%

propan-1-ol (71-23-8) + Tiglic acid (80-59-1) → (E)-propyl 2-methylbut-2-enoate (61692-83-9)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

DOI:10.1021/ja512237d

Reference yield:

methyl-(1-propoxy-ethyl)-malonic acid diethyl ester (680-39-7) → (E)-propyl 2-methylbut-2-enoate (61692-83-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methyl-(1-propoxy-ethyl)-malonic acid diethyl ester

propan-1-ol

Tiglic acid

Refernces