109-15-9 Usage
Description
Octyl isobutyrate is an ester compound with a fruity, fatty fragrance and a soft, humid undertone reminiscent of parsley and fern root. It has a sweet flavor suggestive of grape and can be prepared by esterification of n-octanol with isobutyric acid. It is reported to be found among the volatile components of hop, grapefruit juice, and babaco fruit (Carica pentagona Heilborn). Its taste threshold values are 30 ppm, with taste characteristics described as creamy, waxy, fruity, earthy, and fatty. The aroma threshold value for detection is 6 ppb.
Uses
Used in Flavor Industry:
Octyl isobutyrate is used as a flavoring agent for its sweet, fruity, and fatty taste characteristics. It is suitable for enhancing the flavor of various food and beverage products.
Used in Fragrance Industry:
Octyl isobutyrate is used as a fragrance ingredient for its pleasant, fruity, and fatty aroma with a soft and humid undertone reminiscent of parsley and fern root. It can be incorporated into perfumes, colognes, and other scented products to provide a unique and appealing scent profile.
Used in Cosmetic Industry:
Octyl isobutyrate can be used in cosmetic products for its pleasant aroma and fragrance properties. It can be incorporated into skincare, haircare, and other personal care products to provide a refreshing and enjoyable scent experience for users.
Used in Aromatherapy:
Due to its pleasant and soothing aroma, Octyl isobutyrate can be used in aromatherapy practices. It can be used in diffusers or blended with other essential oils to create a relaxing and calming atmosphere, promoting mental well-being and stress relief.
Preparation
Esterification of n-octanol with isobutyric acid.
Metabolism
Isobutyrates are hydrolysed to materials that are either normally in the diet or readily converted to such materials (Fassett, 1963a). Isobutyric acid occurs normally in the metabolism of valine, being converted to a propionyl group and entering into the glycogenic process (Fassett, 1963b). π-Octanol is largely oxidized in vivo; about 10% is excreted conjugated with glucuronic acid in rabbits. Isomeric octanols may be more highly conjugated; they may also be oxidized to the ketone or may be excreted unchanged (Williams, 1959).
Check Digit Verification of cas no
The CAS Registry Mumber 109-15-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 9 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 109-15:
(5*1)+(4*0)+(3*9)+(2*1)+(1*5)=39
39 % 10 = 9
So 109-15-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
109-15-9Relevant articles and documents
Lewis Acid Catalyzed Synthesis of α-Trifluoromethyl Esters and Lactones by Electrophilic Trifluoromethylation
Katayev, Dmitry,Matou?ek, Václav,Koller, Raffael,Togni, Antonio
supporting information, p. 5898 - 5901 (2015/12/11)
An electrophilic trifluoromethylation of ketene silyl acetals (KSAs) by hypervalent iodine reagents 1 and 2 has been developed. The reaction proceeds under very mild conditions in the presence of a catalytic amount of trimethylsilyl bis(trifluoromethanesulfonyl)imide (up to 2.5 mol %) as a Lewis acid providing a direct access to a variety of secondary, tertiary, and quaternary α-trifluoromethyl esters and lactones in high yield (up to 98%).
Erbium(III) chloride: A very active acylation catalyst
Dalpozzo, Renato,De Nino, Antonio,Maiuolo, Loredana,Oliverio, Manuela,Procopio, Antonio,Russo, Beatrice,Tocci, Amedeo
, p. 75 - 79 (2008/02/10)
Erbium(iii) chloride is a powerful catalyst for the acylation of alcohols and phenols. The reaction works well for a large variety of simple and functionalized substrates by using different kinds of acidic anhydrides (Ac 2O, (EtCO)2O, (PriCO)2O, (Bu tCO)2O, and (CF3CO)2), without isomerization of chiral centres. Moreover, the catalyst can be easily recycled and reused without significant loss of activity. CSIRO 2007.
Structure-function correlation in lipase catalysed esterification reactions of short and medium carbon chain length alcohols and acids
Divakar, Soundar
, p. 1919 - 1922 (2007/10/03)
An attempt has been made to correlate the carbon chain lengths of acids and alcohols to the extent of esterification in the Rhizomucor miehei lipase catalyzed esterification reactions involving acids of carbon chain length C2-C5 and alcohols of carbon chain length C1-C8.