octan-2-yl benzoate

Base Information

• Chemical Name: octan-2-yl benzoate
• CAS No.: 6938-51-8
• Molecular Formula: C15H22 O2
• Molecular Weight: 234.338
• Mol file: 6938-51-8.mol

Synonyms:2-Octanol,benzoate (6CI,8CI,9CI); 1-Methylheptyl benzoate; 2-Octyl benzoate; Benzoicacid, 1-methylheptyl ester; NSC 53972; NSC 67893

Chemical Property of octan-2-yl benzoate

Chemical Property:

• Vapor Pressure: 0.000507mmHg at 25°C
• Boiling Point: 313.1°C at 760 mmHg
• Flash Point: 132°C
• Density: 0.963g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of octan-2-yl benzoate

There total 84 articles about octan-2-yl 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: 97.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + benzoic acid tert-butyl ester (774-65-2) → 2-octyl benzoate (6938-51-8) + tert-butyl alcohol (75-65-0)

Guidance literature:

With cerium(IV) oxide; at 180 ℃; for 18h;

DOI:10.1039/c3gc40408k

Reference yield: 96.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + benzeneacetic acid methyl ester (101-41-7) → methanol (67-56-1) + 2-octyl benzoate (6938-51-8)

Guidance literature:

With cerium(IV) oxide; at 180 ℃; for 24h;

DOI:10.1039/c3gc40408k

Reference yield: 92.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + benzoyl chloride (98-88-4) → 2-octyl benzoate (6938-51-8)

Guidance literature:

With zinc(II) oxide; at 40 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.09.005

upstream raw materials:

thiobenzoic acid

rac-octan-2-ol

benzoic acid methyl ester

iodobenzene

Downstream raw materials:

(R)-Octan-2-ol

Refernces

• 1、 Subaramanian, Murugan,Ramar, Palmurukan M.,Rana, Jagannath,Gupta, Virendra Kumar,Balaraman, Ekambaram. "Catalytic conversion of ketones to esters: Via C(O)-C bond cleavage under transition-metal free conditions". supporting information. p. 8143 - 8146. Retrieved 2020/09/09.
• 2、 León, Félix,González-Liste, Pedro J.,García-Garrido, Sergio E.,Arribas, Inmaculada,Rubio, Miguel,Cadierno, Victorio,Pizzano, Antonio. "Broad Scope Synthesis of Ester Precursors of Nonfunctionalized Chiral Alcohols Based on the Asymmetric Hydrogenation of α,β-Dialkyl-, α,β-Diaryl-, and α-Alkyl-β-aryl-vinyl Esters". . p. 5852 - 5867. Retrieved 2017/06/07.