| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2018-04-16 08:25:56 UTC |
|---|
| Update date | 2018-04-16 14:07:14 UTC |
|---|
| FoodComEx ID | PC001117 |
|---|
| FoodDB Record | FDB000846 |
|---|
| Chemical Information |
|---|
| Name | Vanillic acid |
|---|
| Description |
Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavoring and scent agent that produces a pleasant, creamy odor. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). Vanillic acid is a metabolic byproduct of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea and vanilla-flavored confectionary. |
|---|
| CAS Number | 121-34-6 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 3-Methoxy-4-hydroxybenzoate | biospider | | 3-Methoxy-4-hydroxybenzoic acid | biospider | | 4 Hydroxy 3 methoxybenzoic Acid | biospider | | 4-hydroxy-3-methoxy-Benzoate | biospider | | 4-hydroxy-3-methoxy-Benzoic acid | biospider | | 4-Hydroxy-3-methoxybenzoate | Generator | | 4-Hydroxy-3-methoxybenzoic acid | db_source | | 4-Hydroxy-3-methoxybenzoic acid (vanillic acid) | biospider | | 4-hydroxy-m-Anisate | biospider | | 4-hydroxy-m-Anisic acid | biospider | | Acid, 4-Hydroxy-3-methoxybenzoic | biospider | | Acid, p-hydroxy-m-methoxy-benzoic | biospider | | Acid, vanillic | biospider | | Acide vanillique | HMDB | | Benzoic acid, 4-hydroxy-3-methoxy- | biospider | | m-Anisic acid, 4-hydroxy- | biospider | | P hydroxy m methoxy benzoic acid | biospider | | P-hydroxy-m-methoxy-benzoic acid | biospider | | P-hydroxy-m-methoxy-benzonic acid | biospider | | P-vanillate | biospider | | P-vanillic acid | biospider | | Protocatechuic acid 3-methyl ester | biospider | | Protocatechuic acid, 3-methyl ester | biospider | | VA | biospider | | Va (van) | biospider | | Vanillate | Generator | | Vanillic acid | db_source | | VNL | biospider |
|
|---|
| Chemical Formula | C8H8O4 |
|---|
| IUPAC name | 4-hydroxy-3-methoxybenzoic acid |
|---|
| InChI Identifier | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
|---|
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | COC1=C(O)C=CC(=C1)C(O)=O |
|---|
| Average Molecular Weight | 168.148 |
|---|
| Monoisotopic Molecular Weight | 168.042258738 |
|---|
| Chemical Taxonomy |
|---|
| Class | Polyphenols |
|---|
| Family | Hydroxybenzoic acids |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | 1.43 | HANSCH,C ET AL. (1995) |
|---|
| Experimental Water Solubility | 1.5 mg/mL at 14 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
|---|
| Melting Point | Mp 210° | DFC |
|---|
|
| Foods of Origin |
|---|
| Vanilla, Olive, american cranberry, strawberry... |
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | 1 to 5 mg |
|---|
| Delivery Time | 2 weeks |
|---|
| Storage Form | powder |
|---|
| Storage Conditions | 4°C |
|---|
| Stability | Not Available |
|---|
| Purity | >95% |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
| Contact Name | Contact Institution | Contact Email |
|---|
| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
|
| Commercial Vendors |
|---|
| AKSci | D776 |
|---|
| AKSci | J92526 |
|---|
| Toronto Research Chemicals | V097350 |
|---|
