U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAIACOL VALERATE

SMILES

CCCCC(=O)OC1=C(OC)C=CC=C1

InChI

InChIKey=JIPVGERXYWGOOY-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-3-4-9-12(13)15-11-8-6-5-7-10(11)14-2/h5-8H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
GUAIACOL VALERATE
MI  
Systematic Name English
GUAIACOL VALERATE [MI]
Common Name English
GEOSOT
Brand Name English
PENTANOIC ACID, 2-METHOXYPHENYL ESTER
Systematic Name English
VALERIC ACID, O-METHOXYPHENYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
LL7769COGF
Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID30365018
Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023
PRIMARY
CAS
531-39-5
Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023
PRIMARY
PUBCHEM
1729072
Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023
PRIMARY
MERCK INDEX
m220
Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023
PRIMARY Merck Index