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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

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:25:14 GMT 2025
Edited
by admin
on Mon Mar 31 22:25:14 GMT 2025
Record UNII
LL7769COGF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUAIACOL VALERATE
MI  
Systematic Name English
GEOSOT
Preferred Name English
GUAIACOL VALERATE [MI]
Common 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 Mon Mar 31 22:25:14 GMT 2025 , Edited by admin on Mon Mar 31 22:25:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID30365018
Created by admin on Mon Mar 31 22:25:14 GMT 2025 , Edited by admin on Mon Mar 31 22:25:14 GMT 2025
PRIMARY
CAS
531-39-5
Created by admin on Mon Mar 31 22:25:14 GMT 2025 , Edited by admin on Mon Mar 31 22:25:14 GMT 2025
PRIMARY
PUBCHEM
1729072
Created by admin on Mon Mar 31 22:25:14 GMT 2025 , Edited by admin on Mon Mar 31 22:25:14 GMT 2025
PRIMARY
MERCK INDEX
m220
Created by admin on Mon Mar 31 22:25:14 GMT 2025 , Edited by admin on Mon Mar 31 22:25:14 GMT 2025
PRIMARY Merck Index