CAS 55-10-7|Vanillyl mandelic acid
| Common Name | Vanillyl mandelic acid | ||
|---|---|---|---|
| CAS Number | 55-10-7 | Molecular Weight | 198.173 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 421.3±45.0 °C at 760 mmHg |
| Molecular Formula | C9H10O5 | Melting Point | 132-134 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 173.7±22.2 °C |
Names
| Name | vanillylmandelic acid |
|---|---|
| Synonym | More Synonyms |
Vanillyl mandelic acid BiologicalActivity
| Description | Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 μM[1]. |
|---|---|
| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Others >>Others |
| In Vitro | Vanillylmandelic acid has antioxidant activity, the IC50 value is determined as the amount of VMA required to reduce 50% of the starting concentration of free radical is 33*10-6 M in the UV-Vis decolourisation DPPH assay[1]. |
| In Vivo | Vanillylmandelic acid (intra-arterial injection over 1 min; 1, 10 and 100 mg/kg; the 60 min-observation period) produces a significant difference between vanillylmandelic acid groups and controls. Vanillylmandelic acid decreases the heart rate by 17.5%, 17.9% and 18.9% after 1, 10 and 100 mg/kg, respectively. Mean blood pressure is decreased by 13.5% in control animals as compared to 37%, 23% and 26% after 1, 10 and 100 mg/kg, respectively, in wistar rats[1]. |
| References | [1]. Michalis K Kolentinis, et al.Cardiovascular effects of vanillylmandelic acid in rats. Eur J Pharmacol. 2013 Mar 5;703(1-3):46-52. [2]. Dušan Dimić, et al. Experimental and theoretical elucidation of structural and antioxidant properties of vanillylmandelic acid and its carboxylate anion. Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jun 5;198:61-70. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 421.3±45.0 °C at 760 mmHg |
| Melting Point | 132-134 °C (dec.)(lit.) |
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.173 |
| Flash Point | 173.7±22.2 °C |
| Exact Mass | 198.052826 |
| PSA | 86.99000 |
| LogP | -0.11 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.606 |
| InChIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| SMILES | COc1cc(C(O)C(=O)O)ccc1O |
| Storage condition | 2-8°C |
Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36-37/39 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | CY9033750 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 29036990 |
Customs
| HS Code | 29036990 |
|---|
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Synonyms
| dl-α,4-dihydroxy-3-methoxyphenylacetic acid |
| Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid |
| Vanilmandelic Acid |
| 4-Hydroxy-3-methoxy-DL-mandelic acid |
| DL-VANILLOMANDELIC ACID |
| Vanilinmandelic Acid |
| DL-Vanillylmandelic acid |
| 4-Hydroxy-3-methoxyphenyl(hydroxy)acetic acid |
| QVYQR DQ CO1 |
| (4-Hydroxy-3-methoxyphenyl)glycolic acid |
| UNII:0DQI268449 |
| Vanillomandelic Acid |
| α,4-Dihydroxy-3-methoxybenzeneacetic acid |
| EINECS 200-224-0 |
| Vanillinemandelic acid |
| 4-hydroxy-3-methoxy-phenylglycolic acid |
| 3-methoxy-p-hydroxymandelic acid |
| VMA |
| VANILLYLMANDELIC ACID |
| Benzeneacetic acid, α,4-dihydroxy-3-methoxy- |
| 4-Hydroxy-3-methoxymandelic acid |
| 3-methoxy-4-hydroxymandelic acid |
| 4-Hydroxy 3-methoxymandelic acid |
| HYDROXYMETHOXYMANDELICACID |
| MFCD00004235 |
| Vanillinmandelic acid |
