public_id

FDB020053

IUPAC 名称

1,2,3-trimethoxy-5-methylbenzene

描述

1,2,3-trimethoxy-5-methylbenzene is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. 1,2,3-trimethoxy-5-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-methylbenzene can be found in safflower and tea, which makes 1,2,3-trimethoxy-5-methylbenzene a potential biomarker for the consumption of these food products.

CAS号

6443-69-2

异构

COC1=CC(C)=CC(OC)=C1OC

InChI标识符

InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3

键

KCIZTNZGSBSSRM-UHFFFAOYSA-N

平均分子量

182.094294314

id

20060

含有化合物的食物

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