Biocatalytic intensified process for the synthesis of neopentyl glycol dicaprylate/dicaprate

Máximo, F.; Asensi, M.; Serrano-Arnaldos, M.; Ortega Requena, Salvadora; Montiel, M.; Bastida, J.

Publication:
Biocatalytic intensified process for the synthesis of neopentyl glycol dicaprylate/dicaprate

dc.contributor.author	Máximo, F.
dc.contributor.author	Asensi, M.
dc.contributor.author	Serrano-Arnaldos, M.
dc.contributor.author	Ortega Requena, Salvadora
dc.contributor.author	Montiel, M.
dc.contributor.author	Bastida, J.
dc.contributor.department	Ingeniería Química
dc.date.accessioned	2024-02-01T15:15:03Z
dc.date.available	2024-02-01T15:15:03Z
dc.date.copyright	© 2022 The Authors
dc.date.issued	2022-11-07
dc.description.abstract	Emollient esters are widely used ingredients in the cosmetics industry. Their chemical synthesis requires the use of high temperatures and polluting acid catalysts, resulting in environmentally unfriendly processes. This paper describes, for the first time, the biocatalytic synthesis process of the cosmetic ingredient neopentyl glycol dicaprylate/dicaprate (INCI name), a mixture of branched diesters with excellent emollient properties. The co-esterification of the acids with the alcohol is carried out in a solvent-free system, using the biocatalyst Lipozyme®435, a commercial immobilized derivative of Candida antarctica lipase B marketed by Novozymes. Process intensification has been approached by acting on three different aspects. Firstly, the use of solvent-free systems provides higher yields by operating with smaller reactor volumes. Secondly, the inhibition of the enzymatic activity caused by caprylic and capric acids has determined the need to implement a new reaction strategy consisting in the use of a fed-batch reactor, in which the acid is added to the reactor using a peristaltic pump in order to maintain an optimal acid concentration that minimizes the inhibition effects. Finally, the reusability of the biocatalyst used has been verified, allowing it to be used in at least five consecutive reaction cycles without noticeable loss of activity. All this results in an efficient synthesis process with a process productivity of 0.15 kg product/L reactor·h and a biocatalyst productivity of 167.09 kg product/kg biocatalyst. Only 6 h are needed, operating in a fed-batch reactor at 80 °C, to obtain a product with 92.5% purity. In addition, the most commonly used sustainability indicators have been calculated, reflecting that the biocatalytic process developed for the synthesis of neopentyl glycol dicaprylate/dicaprate complies with many of the principles of “green chemistry” and is suitable for future implementation on an industrial scale.	es
dc.format	application/pdf	es
dc.format.extent	10	es
dc.identifier.citation	Sustainable Chemistry and Pharmacy 30 (2022) 100882
dc.identifier.doi	https://doi.org/10.1016/j.scp.2022.100882
dc.identifier.issn	Electronic: 2352-5541
dc.identifier.uri	http://hdl.handle.net/10201/138460
dc.language	eng	es
dc.publisher	Elsevier
dc.relation	Organismo Financiador: Ministerio de Ciencia, Innovación y Universidades. Convocatoria: PROYECTOS DE I+D+i «RETOS INVESTIGACIÓN» 2018, Proyecto: PROCESOS SOSTENIBLES PARA LA SINTESIS BIOCATALITICA DE ESTERES RAMIFICADOS. Código: RTI2018-094908-B-I00	es
dc.relation.publisherversion	https://www.sciencedirect.com/science/article/pii/S2352554122002868?via%3Dihub	es
dc.rights	Attribution-NonCommercial-NoDerivates 4.0 International
dc.rights.accessRights	info:eu-repo/semantics/openAccess
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject	Biocatalysis	es
dc.subject	Fed-batch reactor	es
dc.subject	Green metrics	es
dc.subject	Neopentyl glycol dicaprylate/dicaprate	es
dc.subject	Process intensification	es
dc.subject	Solvent-free	es
dc.title	Biocatalytic intensified process for the synthesis of neopentyl glycol dicaprylate/dicaprate	es
dc.type	info:eu-repo/semantics/article	es
dc.type.version	info:eu-repo/semantics/publishedVersión
dspace.entity.type	Publication	es