CAS Number55-10-7
Synonymsdl-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; 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; 4-Hydroxy-3-methoxymandelic acid; 3-methoxy-4-hydroxymandelic acid; 4-Hydroxy 3-methoxymandelic acid; HYDROXYMETHOXYMANDELICACID; MFCD00004235
Molecular FormulaHOC6H3(OCH3)CH(OH)CO2H
Molecular Weight198.17
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point421.3±45.0 °C at 760 mmHg
Melting Point132-134 °C (dec.) (lit.)
Appearancepowder
EINECS200-224-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 55-10-7 |
| Catalog No. | 2A-9016674 |
| Chinese Name | 3-甲氧基-4-羟基扁桃酸 |
| 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; 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; 4-Hydroxy-3-methoxymandelic acid; 3-methoxy-4-hydroxymandelic acid; 4-Hydroxy 3-methoxymandelic acid; HYDROXYMETHOXYMANDELICACID; MFCD00004235 |
| Molecular Formula | HOC6H3(OCH3)CH(OH)CO2H |
| Molecular Weight | 198.17 |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 421.3±45.0 °C at 760 mmHg |
| Melting Point | 132-134 °C (dec.) (lit.) |
| Appearance | powder |
| Water Solubility | Soluble |
| Storage Condition | This product should be sealed and stored in a dry |
| Packaging | III |
| Application | Vanillylmandelic acid is the end product of the metabolism of epinephrine and norepinephrine. Vanillylmandelic acid may also serve as a marker for neurotransmitter metabolism disorders. Vanillylmandel |
| EINECS | 200-224-0 |
| HTC | 29036990 |
| PubChem ID | 24277743 |
| MDL Number | MFCD00004235 |
| SMILES | OC1=C(OC)C=C(C(O)C(O)=O)C=C1 |
| InChI | 1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChI Key | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2213227 |
| NACRES Code | NA.77 |
| UNSPSC | 12352106 |
| Hazard Symbols | 3 |
| Risk Codes | R36/37/38 |
| Safety Description | S26;S37/39 |
| MSDS | msds/16674_1_55_10_7.pdf |
| Bioactivity | 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 Disease Signaling 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 |
| Use of | 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]. Properties Articles35 Name vanillylmandelic acid Synonym More Synonyms Vanillyl mandelic acid Biological Activity 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 Disease Signaling 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]. 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 Molecular Formula C9H10O5 Exact Mass 198.052826 PSA 86.99000 LogP -0.11 Index of Refraction 1.606 InChIKey CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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