Butyl decanoate

Base Information

• Chemical Name: Butyl decanoate
• CAS No.: 30673-36-0
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• Hs Code.: 2915900090
• European Community (EC) Number: 250-280-5
• UNII: 64W3201R25
• DSSTox Substance ID: DTXSID4067565
• Nikkaji Number: J115.100B
• Wikidata: Q27263792
• Mol file: 30673-36-0.mol

Synonyms:butyl decanoate;decanoic acid butyl ester

Chemical Property of Butyl decanoate

Chemical Property:

• Vapor Pressure: 0.00532mmHg at 25°C
• Refractive Index: n20/D 1.430
• Boiling Point: 274.7°Cat760mmHg
• Flash Point: 120°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 4.47040
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 155

Purity/Quality:

98%, ^*data from raw suppliers

Butyl Decanoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCCC
• Uses: Butyl decanoate poses no health hazard and is biodegradable. Hence it is used to substitute hazardous compounds used in tissue processing and dewaxing, along with other compounds without impairing the morphology, staining characteristics, or diagnostic value of the tissue sections. It was used as an internal standard in the calculation of acid concentrations in the whole egg samples.

Technology Process of Butyl decanoate

There total 3 articles about Butyl decanoate 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: 98.0%

1-decanoic acid (334-48-5) + butan-1-ol (71-36-3) → n-butyl decanoate (30673-36-0)

Guidance literature:

With nano sulfated-TiO₂; In neat (no solvent); at 80 ℃; for 1.5h; under 760.051 Torr;

DOI:10.1016/j.crci.2012.10.016

Reference yield:

4-nitrophenyl decanoate (1956-09-8) + butan-1-ol (71-36-3) → n-butyl decanoate (30673-36-0)

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:

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) + butan-1-ol (71-36-3) → n-butyl decanoate (30673-36-0) + n-butyl-2-methylnonanoate

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tin(ll) chloride; In acetone; for 6h; under 9880 Torr; Product distribution; influence of additions of SnCl₂ on the yield and regioselectivity of the hydrocarboalkoxylation reaction;

DOI:10.1007/BF00955804

upstream raw materials:

1-decanoic acid

butan-1-ol

non-1-ene

carbon monoxide

Downstream raw materials:

Methyl decanoate

2-nonyl-1H-benzo[d]imidazole

N-(2-aminophenyl)decanamide

(R)-3-ethoxy-3-oxo-1-phenylpropyl decanoate

Refernces

• 1、 Pongpamorn, Pornkanok,Kiattisewee, Cholpisit,Kittipanukul, Narongyot,Jaroensuk, Juthamas,Trisrivirat, Duangthip,Maenpuen, Somchart,Chaiyen, Pimchai. "Carboxylic Acid Reductase Can Catalyze Ester Synthesis in Aqueous Environments". supporting information. p. 5749 - 5753. Retrieved 2021/02/01.
• 2、 Eby,Peretti. "Performance in synthetic applications of a yeast surface display-based biocatalyst". . p. 30425 - 30432. Retrieved 2015/04/22.