Bornyl butyrate

Base Information

• Chemical Name: Bornyl butyrate
• CAS No.: 13109-70-1
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.343
• European Community (EC) Number: 261-281-5,236-036-0
• DSSTox Substance ID: DTXSID80864364
• Nikkaji Number: J3.087.869H
• Wikidata: Q105286945
• Metabolomics Workbench ID: 48122
• Mol file: 13109-70-1.mol

Synonyms:Bornyl butyrate;Bornyl butanoate;Borneol, butyrate;Butyric acid, 2-bornyl ester;Bornyl ester of n-butanoic acid;13109-70-1;1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate;1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butyrate;Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-;bornylbutyrat;58479-55-3;BORNYLBUTYRATE;SCHEMBL310464;FEMA 3907;DTXSID80864364;CHEBI:171780;VIPNQHBVIDJXJE-UHFFFAOYSA-N;Butyric acid, 2-bornyl ester (8CI);1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate;1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate #;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate;butyric acid 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester

Chemical Property of Bornyl butyrate

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Boiling Point: 254°Cat760mmHg
• Flash Point: 110.9°C
• PSA: 26.30000
• Density: 0.98g/cm³
• LogP: 3.54450
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

BORNYL BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CC2CCC1(C2(C)C)C

Technology Process of Bornyl butyrate

There total 1 articles about Bornyl butyrate 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:

isoborneol (24393-70-2) + butyryl chloride (141-75-3) → isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8)

Guidance literature:

With dmap; In dichloromethane;

DOI:10.1002/cbic.202100187

Reference yield:

isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8) → borneol (464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,24393-70-2,124-76-5,16725-71-6) + isoborneol (124-76-5,464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,16725-71-6,24393-70-2) + (1R,2R,4R)-(-)-isobornyl butyrate (107910-89-4) + isobornyl butyrate

Guidance literature:

With esterase from porcine liver; In aq. phosphate buffer; at 30 ℃; for 24h; pH=7.5; Reagent/catalyst; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/cbic.202100187

Reference yield:

isobornyl butyrate (13109-70-1,58479-55-3,74183-26-9,85551-27-5,107910-89-4,141316-67-8) → borneol (464-43-7,464-45-9,507-70-0,6627-72-1,10334-13-1,10385-78-1,24393-70-2,124-76-5,16725-71-6) + (1R,2R,4R)-(-)-isobornyl butyrate (107910-89-4) + isobornyl butyrate

Guidance literature:

With cephalosporin esterase B from Burkholderia gladioli NK₇₀ mutant; In aq. phosphate buffer; at 30 ℃; for 24h; pH=7.5; Reagent/catalyst; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/cbic.202100187

upstream raw materials:

isoborneol

butyryl chloride

Downstream raw materials:

borneol

isoborneol

(1R,2R,4R)-(-)-isobornyl butyrate

Refernces