Ethyl Vanillat
Vanilicacidethylester
CAS: 617-05-0
Molecular Formula: C10H12O4
Ethyl Vanillat - Names and Identifiers
| Name | Vanilicacidethylester |
| Synonyms | ERLOTINIBIM-D Ethyl Vanillat Ethyl vanillate TIMTEC-BB SBB005892 RARECHEM AL BI 0101 Vanilicacidethylester Vanilic acid ethyl ester 4-hydroxy-m-anisicaciethylester ethyl 4-hydroxy-3-methoxybenzoate 4-hydroxy-3-methoxy-benzoicaciethylester 4-Hydroxy-3-methoxybenzoic acid ethyl ester Ethyl 4-hydroxy-3-methoxybenzoate~Vanillic acid ethyl ester Vanillic Acid Ethyl Ester4-Hydroxy-3-methoxybenzoic Acid Ethyl EsterEthyl 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic Acid Ethyl EsterEthyl 4-Hydroxy-3-methoxybenzoateVanillic Acid Ethyl Ester |
| CAS | 617-05-0 |
| EINECS | 210-503-9 |
| InChI | InChI=1/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 |
| InChIKey | MWAYRGBWOVHDDZ-UHFFFAOYSA-N |
Ethyl Vanillat - Physico-chemical Properties
| Molecular Formula | C10H12O4 |
| Molar Mass | 196.2 |
| Density | 1.2166 (rough estimate) |
| Melting Point | 43-45°C |
| Boling Point | 108-110 °C (2 mmHg) |
| Flash Point | 293°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00108mmHg at 25°C |
| Appearance | White crystal |
| Color | White to Off-White |
| BRN | 2100025 |
| pKa | 8.36±0.18(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5430 (estimate) |
| MDL | MFCD00017269 |
Ethyl Vanillat - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| RTECS | YW5425000 |
| TSCA | Yes |
| HS Code | 29189900 |
Ethyl Vanillat - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | Ethyl vanillin (Bourbonal, Ethyl protal) is a vanillin analog, it can be used as a flavoring agent and a fungicide, and has a strong antioxidant activity. The IC50 value for the inhibition of 17 β-hsd2 by ethl vanilate was 1.3 μm. |
| Target | IC50: 1.3 µm (17 β-hsd2) |
Last Update：2024-04-09 19:05:13
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