VANILLIN VANILLATE

COC1=CC(=CC=C1O)C(=O)OC2=CC=C(C=O)C=C2OC

InChIKey=NJJAAEQSAYYXBL-UHFFFAOYSA-N

InChI=1S/C16H14O6/c1-20-14-8-11(4-5-12(14)18)16(19)22-13-6-3-10(9-17)7-15(13)21-2/h3-9,18H,1-2H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:39:16 GMT 2025` Edited by `admin` on `Mon Mar 31 23:39:16 GMT 2025`
Record UNII	4ECR7902HK
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

VANILLIN VANILLATE

Systematic Name

English

4-FORMYL-2-METHOXYPHENYL 4-HYDROXY-3-METHOXYBENZOATE

Preferred Name

English

BENZOIC ACID, 4-HYDROXY-3-METHOXY-, 4-FORMYL-2-METHOXYPHENYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

4ECR7902HK

Created by admin on Mon Mar 31 23:39:16 GMT 2025 , Edited by admin on Mon Mar 31 23:39:16 GMT 2025

PRIMARY

PUBCHEM

15098591

Created by admin on Mon Mar 31 23:39:16 GMT 2025 , Edited by admin on Mon Mar 31 23:39:16 GMT 2025

PRIMARY

CAS

100644-89-1

Created by admin on Mon Mar 31 23:39:16 GMT 2025 , Edited by admin on Mon Mar 31 23:39:16 GMT 2025

PRIMARY

EPA CompTox

DTXSID90568164

Created by admin on Mon Mar 31 23:39:16 GMT 2025 , Edited by admin on Mon Mar 31 23:39:16 GMT 2025

PRIMARY