Heptanoic acid, 3-methyl-2-butenyl ester

Base Information

• Chemical Name: Heptanoic acid, 3-methyl-2-butenyl ester
• CAS No.: 5205-10-7
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Hs Code.: 2915900090
• European Community (EC) Number: 225-997-1
• UNII: 44JV73R3QG
• DSSTox Substance ID: DTXSID0063737
• Nikkaji Number: J297.938A
• Mol file: 5205-10-7.mol

Synonyms:3-Methylbut-2-enyl heptanoate;Heptanoic acid, 3-methyl-2-butenyl ester;5205-10-7;Prenyl heptanoate;Heptanoic acid, 3-methyl-2-buten-1-yl ester;44JV73R3QG;DTXSID0063737;EINECS 225-997-1;2-Buten-1-ol, 3-methyl-, heptanoate;Heptanoic acid 3-methyl-2-butenyl ester

Chemical Property of Heptanoic acid, 3-methyl-2-butenyl ester

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 255.2 °C at 760 mmHg
• Flash Point: 86 °C
• PSA: 40.13000
• Density: 0.887 g/cm³
• LogP: 2.28910
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

PRENYL-HEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC=C(C)C

Technology Process of Heptanoic acid, 3-methyl-2-butenyl ester

There total 1 articles about Heptanoic acid, 3-methyl-2-butenyl ester 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:

→ 3-methylbut-2-enyl heptanoate (5205-10-7)

Guidance literature:

2-Oxa-3.3-dimethyl-pentandiol-(1.5)-diheptanoat, Δ, 17mm;