Isobornyl benzoate

Base Information

• Chemical Name: Isobornyl benzoate
• CAS No.: 26927-89-9
• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.36
• European Community (EC) Number: 248-112-0
• DSSTox Substance ID: DTXSID70949710
• Nikkaji Number: J292.839F
• Mol file: 26927-89-9.mol

Synonyms:Isobornyl benzoate;Bornylbenzoate;26927-89-9;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) benzoate;26927-90-2;EINECS 248-112-0;SCHEMBL309536;DTXSID70949710;AKOS002931606;AKOS016182755;20279-54-3;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol benzoate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate

Chemical Property of Isobornyl benzoate

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 328.9°Cat760mmHg
• Flash Point: 149°C
• PSA: 26.30000
• Density: 1.08g/cm³
• LogP: 4.05820
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 258.161979940
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(C2)OC(=O)C3=CC=CC=C3)C)C

Technology Process of Isobornyl benzoate

There total 3 articles about Isobornyl benzoate 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:

benzoic acid (65-85-0,8013-63-6) → benzoic acid isobornyl ester (20279-54-3,26927-89-9,26927-90-2,122922-36-5)

Guidance literature:

With zinc; at 115 ℃;

Reference yield:

isoborneol (24393-70-2) + benzoyl chloride (98-88-4) → benzoic acid isobornyl ester (20279-54-3,26927-89-9,26927-90-2,122922-36-5)

Guidance literature:

Multistep reaction; (i) nBuLi, THF, hexane, (ii) /BRN= 471389/;

DOI:10.1021/jo00829a084

Reference yield:

epi-borneol (22336-76-1) + benzoyl chloride (98-88-4) → benzoic acid epibornyl ester (20279-54-3,26927-89-9,26927-90-2,122922-36-5)

Guidance literature:

With diethyl ether; potassium carbonate;

upstream raw materials:

epi-borneol

benzoyl chloride

isoborneol

benzoic acid

Downstream raw materials:

Camphor