public_id

FDB004510

IUPAC 名称

hex-3-en-1-yl butanoate

描述

3-hexenyl butanoate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. 3-hexenyl butanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-hexenyl butanoate can be found in tea, which makes 3-hexenyl butanoate a potential biomarker for the consumption of this food product. 3-hexenyl butanoate may be a unique S.cerevisiae (yeast) metabolite.

CAS号

异构

CCCC(=O)OCCC=CCC

InChI标识符

InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3

键

ZCHOPXVYTWUHDS-UHFFFAOYSA-N

平均分子量

170.13067982

id

4511

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
939	Black tea