Butyl pentadecanoate

Base Information

• Chemical Name: Butyl pentadecanoate
• CAS No.: 35996-97-5
• Molecular Formula: C19H38 O2
• Molecular Weight: 298.51
• Hs Code.: 2915900090
• European Community (EC) Number: 252-826-8
• DSSTox Substance ID: DTXSID30189554
• Nikkaji Number: J319.601A
• Wikidata: Q83061689
• Mol file: 35996-97-5.mol

Synonyms:Butyl pentadecanoate;35996-97-5;EINECS 252-826-8;Pentadecanoic acid, butyl ester;n-butyl-n-pentadecanoate;Pentadecanoic acid butyl ester;SCHEMBL2396240;DTXSID30189554;KRMLKIYWYMUWHP-UHFFFAOYSA-N

Chemical Property of Butyl pentadecanoate

Chemical Property:

• Vapor Pressure: 4.94E-05mmHg at 25°C
• Boiling Point: 348.7°Cat760mmHg
• Flash Point: 167.6°C
• PSA: 26.30000
• Density: 0.863g/cm³
• LogP: 6.42090
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 298.287180451
• Heavy Atom Count: 21
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCC(=O)OCCCC

Technology Process of Butyl pentadecanoate

There total 1 articles about Butyl pentadecanoate 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:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + 1-tetradecene (1120-36-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + 1-undecene (821-95-4) + 1-tridecene (2437-56-1) + 1-pentadecene (13360-61-7) + carbon monoxide (201230-82-2) + butan-1-ol (71-36-3) → butyl undecanoate (10580-24-2) + butyl laurate (106-18-3) + n-butyl tridecanoate (28267-31-4) + n-butyl myristate (110-36-1) + butyl palmitate (111-06-8) + Butyl pentadecanoate (35996-97-5)

Guidance literature:

With pyridine; dicobalt octacarbonyl; at 160 ℃; for 24h; under 60006 - 75007.5 Torr; Conversion of starting material;

Reference yield:

butyl undecanoate (10580-24-2) + butyl laurate (106-18-3) + n-butyl tridecanoate (28267-31-4) + n-butyl myristate (110-36-1) + butyl palmitate (111-06-8) + Butyl pentadecanoate (35996-97-5) → undecyl alcohol (112-42-5) + pentadecanol (629-76-5) + 1-dodecyl alcohol (112-53-8) + tridecan-1-ol (112-70-9) + 1-Tetradecanol (112-72-1) + 1-Hexadecanol (36653-82-4,124-29-8)

Guidance literature:

With lithium aluminium tetrahydride; Product distribution / selectivity;

upstream raw materials:

1-dodecene

1-tetradecene

1-Decene

1-undecene

Downstream raw materials:

undecyl alcohol

pentadecanol

1-dodecyl alcohol

tridecan-1-ol

Refernces