109-15-9 Usage
Description
Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid
undertone reminiscent of parsley and fern root with a sweet flavor
suggestive of grape. May be prepared by esterification of n-octanol
with isobutyric acid.
Chemical Properties
Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root. It
has a sweet flavor suggestive of grape.
Occurrence
Reported found among the volatile components of hop. Also reported found in grapefruit juice and babaco fruit
(Carica pentagona Heilborn).
Preparation
Esterification of n-octanol with isobutyric acid.
Aroma threshold values
Detection: 6 ppb
Taste threshold values
Taste characteristics at 30 ppm: creamy, waxy, fruity, earthy and fatty.
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.
