public_id

FDB004667

IUPAC 名称

4-methylpentyl 4-methylpentanoate

描述

Isohexyl isocaproate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Isohexyl isocaproate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isohexyl isocaproate can be found in a number of food items such as pepper (c. frutescens), orange bell pepper, pepper (c. annuum), and yellow bell pepper, which makes isohexyl isocaproate a potential biomarker for the consumption of these food products.

CAS号

异构

CC(C)CCCOC(=O)CCC(C)C

InChI标识符

InChI=1S/C12H24O2/c1-10(2)6-5-9-14-12(13)8-7-11(3)4/h10-11H,5-9H2,1-4H3

键

BQOKYGYERMXUDU-UHFFFAOYSA-N

平均分子量

200.177630013

id

4668

含有化合物的食物

食物id	食物名称
910	Yellow bell pepper
912	Red bell pepper
436	Pepper (C. frutescens)
40	Pepper
911	Orange bell pepper
909	Green bell pepper