Heptyl stearate

Base Information

• Chemical Name: Heptyl stearate
• CAS No.: 24466-84-0
• Molecular Formula: C25H50 O2
• Molecular Weight: 382.671
• Hs Code.: 2915709000
• European Community (EC) Number: 246-277-3
• NSC Number: 152073
• UNII: DE9JSG5R7U
• DSSTox Substance ID: DTXSID20179227
• Nikkaji Number: J287.263C
• Wikidata: Q83049728
• Mol file: 24466-84-0.mol

Synonyms:Heptyl stearate;heptyl octadecanoate;24466-84-0;Octadecanoic acid, heptyl ester;DE9JSG5R7U;EINECS 246-277-3;NSC-152073;UNII-DE9JSG5R7U;Stearic acid, heptyl ester;Octadecanoic acid heptyl ester;SCHEMBL333011;DTXSID20179227;NSC152073;NSC 152073

Chemical Property of Heptyl stearate

Chemical Property:

• Vapor Pressure: 1.75E-07mmHg at 25°C
• Boiling Point: 426.6°C at 760 mmHg
• Flash Point: 217.8°C
• PSA: 26.30000
• Density: 0.86g/cm³
• LogP: 8.76150
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 382.381080833
• Heavy Atom Count: 27
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC

Technology Process of Heptyl stearate

There total 3 articles about Heptyl stearate 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:

n-heptan1ol (111-70-6) + 4-nitrophenyl stearate (14617-86-8) → heptyl stearate (24466-84-0)

Guidance literature:

With induced mycelium-bound lipase from Aspergillus niger MYA 135; In hexane; acetone; at 37 ℃; for 1h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1007/s10562-012-0901-6

Reference yield:

n-heptan1ol (111-70-6) + stearic acid (57-11-4) → heptyl stearate (24466-84-0)

Guidance literature:

With sulfuric acid;

Reference yield:

n-heptan1ol (111-70-6) + Stearoyl chloride (112-76-5) → heptyl stearate (24466-84-0)

Guidance literature:

With 2,3-Dimethylaniline;

upstream raw materials:

n-heptan1ol

stearic acid

Stearoyl chloride

4-nitrophenyl stearate

Refernces