Octyl heptanoate

Base Information

• Chemical Name: Octyl heptanoate
• CAS No.: 5132-75-2
• Molecular Formula: C15H30O2
• Molecular Weight: 242.402
• Hs Code.: 2915900090
• European Community (EC) Number: 225-882-6
• UNII: ZYZ1M355QM
• DSSTox Substance ID: DTXSID60199323
• Nikkaji Number: J115.083I
• Wikidata: Q27295951
• Metabolomics Workbench ID: 47276
• Mol file: 5132-75-2.mol

Synonyms:Octyl heptanoate;Octyl enanthate;Octyl heptylate;Heptanoic acid, octyl ester;Octyl heptoate;5132-75-2;FEMA No. 2810;UNII-ZYZ1M355QM;ZYZ1M355QM;EINECS 225-882-6;AI3-36012;HEPTANOIC ACID OCTYL ESTER;Octyl heptanoate #;Enanthic acid octyl ester;CAPRYRYL HEPTANOATE;SCHEMBL874128;OCTYL HEPTANOATE [FHFI];FEMA 2810;DTXSID60199323;CHEBI:172100;LMFA07010981;Q27295951

Chemical Property of Octyl heptanoate

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Melting Point: -22.5°C
• Refractive Index: 1.4349
• Boiling Point: 290.3°C at 760 mmHg
• Flash Point: 130°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.86050
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

OCTYL HEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CCCCCC
• Description: Octyl heptanoate has a characteristic fruity, slightly fatty odor and a corresponding flavor. May be prepared by esterification of n-octyl alcohol with heptanoic acid in the presence of mineral acids.

Technology Process of Octyl heptanoate

There total 4 articles about Octyl heptanoate 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:

octanol (111-87-5) → pentanoic acid octyl ester (5451-85-4) + n-octyl hexanoate (4887-30-3) + heptanoic acid octyl ester (5132-75-2) + octyl octylate (2306-88-9)

Guidance literature:

With 5 mol % Fe doped Mn₂O₃/Mn₃O₄ sponge; at 150 ℃; for 48h; Catalytic behavior;

DOI:10.1021/acs.inorgchem.8b00613

Reference yield:

octanol (111-87-5) → n-octyl hexanoate (4887-30-3) + heptanoic acid octyl ester (5132-75-2) + octyl octylate (2306-88-9)

Guidance literature:

With oxygen; at 150 ℃; for 48h; Reagent/catalyst;

DOI:10.1002/cctc.201900704

Reference yield:

octanol (111-87-5) + oenanthic acid (111-14-8) → heptanoic acid octyl ester (5132-75-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

octanol

oenanthic acid

Refernces

• 1、 Meguerdichian, Andrew G.,Shirazi-Amin, Alireza,Moharreri, Ehsan,Achola, Laura A.,Murphy, Steven C.,Macharia, John,Zhong, Wei,Jafari, Tahereh,Suib, Steven L.. "Synthesis of Large Mesoporous-Macroporous and High Pore Volume, Mixed Crystallographic Phase Manganese Oxide, Mn2O3/Mn3O4 Sponge". . p. 6946 - 6956. Retrieved 2018/06/22.