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Quality
Toxicity & Safety
Receptors

Compound Summary

General Compound Information

vanillic acid

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Description

Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a vanillate.

Synonyms

Vanillic acid; 4-HYDROXY-3-METHOXYBENZOIC ACID; 121-34-6; Acide vanillique; Benzoic acid, 4-hydroxy-3-methoxy-;

p-Vanillic acid;3-Methoxy-4-hydroxybenzoic acid;Vanillate;VanillicAcid;m-Anisic acid, 4-hydroxy-;Protocatechuic acid, 3-methyl ester;4-hydroxy-3-methoxy-Benzoic acid;4-Hydroxy-3-methoxybenzoate;NSC 3987;NSC 674322;MFCD00002551;GM8Q3JM2Y8;4-Hydroxy-3-methoxybenzoicacid;CHEMBL120568;CHEBI:30816;VA;4-hydroxy-3-methoxy benzoic acid;NSC-3987;NSC674322;NSC-674322;VA (VAN);VNL;4-hydroxy-m-Anisic acid;EINECS 204-466-8;UNII-GM8Q3JM2Y8;BRN 2208364;Vanillinsaure;p-Vanillate;Vanilic acid;AI3-19542;Vanillic Acid,(S);4-hydroxy-m-Anisate;Vanillic acid (M2);Vanillic acid, 97%;bmse000486;bmse000614;bmse010205;WLN: QVR DQ CO1;VANILLIC ACID [MI];3-Methoxy-4-hydroxybenzoate;SCHEMBL26179;VANILLIC ACID [INCI];MLS000574833;4-hydroxy-3-methoxy-Benzoate;Vanillic acid, >=97%, FG;4-hydroxy-3methoxy benzoic acid;DTXSID6059522;FEMA NO. 3988;4-hydroxyl-3-methoxybenzoic acid;DROXIDOPA METABOLITE (VA);NSC3987;2-METHOXY-4-CARBOXYPHENOL;4- hydroxy-3-methoxybenzoic acid;HMS2197E16;Protocatechuic acid 3-methyl ester;ZINC338275;HY-N0708;STR02334;BBL011982;BDBM50337364;CK2172;s5343;STL163472;AKOS000113195;CCG-266343;M-METHOXY-P-HYDROXY-BENZOIC ACID;NCGC00247610-01;AC-11841;BP-13246;SMR000156289;SY001450;DB-003804;Vanillic acid, purum, >=97.0% (HPLC);AM20050239;CS-0009728;FT-0650155;V0017;4-HYDROXY-3-METHOXYBENZOIC ACID [FHFI];C06672;EN300-105765;Vanillic acid, Vetec(TM) reagent grade, 97%;A804715;Q419672;Q-201921;Z381356666;Vanillic acid, certified reference material, TraceCERT(R);3E9555E5-85F5-4FCE-A429-5182E959C6A3;

FlavorDB ID

830 PUBCHEM ID

Molecular Weight

168.15 Molecular Formula

C8H8O4

Openeye Can Smiles

COC1=C(C=CC(=C1)C(=O)O)O

IUPAC Inchikey

WKOLLVMJNQIZCI-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
taste	astringent	3.150e+2 µmol/L	red wine	details
taste	astringent	3.150e+2 µmol/L	red wine	details
taste	astringent	3.152e+1 µmol/L	whisky	details
taste	astringent	3.146e+2 µmol/L	whisky	details
taste	astringent	3.150e+2 µmol/L		details
taste	astringent	3.150e+2 µmol/L	red wine	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
VANILLIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Vanillic acid

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2243	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2243	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2243	Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)	doi:10.2903/j.efsa.2008.637	07Mar2008

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R14	details	151.17	133.00

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative

Content

Compound Summary

vanillic acid

Description

Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a vanillate.

Synonyms

Vanillic acid; 4-HYDROXY-3-METHOXYBENZOIC ACID; 121-34-6; Acide vanillique; Benzoic acid, 4-hydroxy-3-methoxy-;

FlavorDB ID

830

PUBCHEM ID

8468

Molecular Weight

168.15

Molecular Formula

C8H8O4

Openeye Can Smiles

COC1=C(C=CC(=C1)C(=O)O)O

IUPAC Inchikey

WKOLLVMJNQIZCI-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

vanillic acid

Description

Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a vanillate.

Synonyms

Vanillic acid; 4-HYDROXY-3-METHOXYBENZOIC ACID; 121-34-6; Acide vanillique; Benzoic acid, 4-hydroxy-3-methoxy-;

FlavorDB ID

830

PUBCHEM ID

8468

Molecular Weight

168.15

Molecular Formula

C8H8O4

Openeye Can Smiles

COC1=C(C=CC(=C1)C(=O)O)O

IUPAC Inchikey

WKOLLVMJNQIZCI-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component Vanillic acid

Reference Details

GC-MS Spectrum

GC-MS Spectrum

GC-MS Spectrum