CAS Number617-05-0
Synonyms3-methoxy-4-hydroxybenzoic acid ethyl ester; Ethyl vanillate; Ethyl 4-hydroxy-3-methoxybenzoate; EINECS 210-503-9; Benzoic acid,4-hydroxy-3-methoxy-,ethyl ester; Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester; 4-Hydroxy-3-methoxybenzoic acid ethyl ester; 3-methoxy-4-hydroxy-ethyl benzoate; VANILLIC ACID,ETHYL ESTER; Ethyl-4-hydroxy-3-methoxybenzolcarboxylat; ethyl-3-methoxy-4-hydroxybenzoate; MFCD00017269
Molecular FormulaC10H12O4
Molecular Weight196.20
Purity≥98.5 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point292.0±0.0 °C at 760 mmHg
Melting Point43-45°C
EINECS210-503-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 617-05-0 |
| Catalog No. | 2A-9024270 |
| Chinese Name | 香草酸乙酯 |
| Synonyms | 3-methoxy-4-hydroxybenzoic acid ethyl ester; Ethyl vanillate; Ethyl 4-hydroxy-3-methoxybenzoate; EINECS 210-503-9; Benzoic acid,4-hydroxy-3-methoxy-,ethyl ester; Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester; 4-Hydroxy-3-methoxybenzoic acid ethyl ester; 3-methoxy-4-hydroxy-ethyl benzoate; VANILLIC ACID,ETHYL ESTER; Ethyl-4-hydroxy-3-methoxybenzolcarboxylat; ethyl-3-methoxy-4-hydroxybenzoate; MFCD00017269 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.20 |
| Purity | ≥98.5 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 292.0±0.0 °C at 760 mmHg |
| Melting Point | 43-45°C |
| Storage Condition | Storage: Seal the container and store it in a seal |
| Application | Ethyl Vanillate is a fungicide. Ethyl Vanillate inhibits 17β-HSD2 with an IC50 of 1.3 µM. |
| EINECS | 210-503-9 |
| HTC | 2918990090 |
| PubChem ID | 329767743 |
| MDL Number | MFCD00017269 |
| SMILES | O=C(OCC)C1=CC(OC)=C(O)C=C1 |
| InChI | 1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 |
| InChI Key | MWAYRGBWOVHDDZ-UHFFFAOYSA-N |
| UNSPSC | 85151701 |
| Hazard Symbols | transportation |
| MSDS | msds/24270_1_617_05_0.pdf |
| Bioactivity | Ethyl Vanillate is a fungicidal agent. Ethyl Vanillate inhibits 17β-HSD2 with an IC50 1.3 µM[1][2]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Fungal Target IC50: 1.3 µM (17β-HSD2)[1] References [1]. Engeli RT, et al. Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases. Int J Mol Sci. 2017 Sep 19;18(9). pii: E2007. [2]. COHEN R, et al. Four new fungicides for Coccidioides immitis: 1. Sodium caprylate. 2. Ethyl vanillate 3. Fradicin. 4. Thiolutin. Arch Pediatr. 1951 Jun;68(6):259-64. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 292.0±0.0 °C at 760 mmHg Melting Point 43-45°C Molecular Formula C10H12O4 Molecular Weight 196.200 Flash Point 122.4±15.8 °C Exact Mass 196.073563 PSA 55.76000 LogP 2.07 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.528 |
| Use of | Ethyl Vanillate is a fungicidal agent. Ethyl Vanillate inhibits 17β-HSD2 with an IC50 1.3 µM[1][2]. Properties Name Ethyl 4-hydroxy-3-methoxybenzoate Synonym More Synonyms Ethyl vanillate Biological Activity Description Ethyl Vanillate is a fungicidal agent. Ethyl Vanillate inhibits 17β-HSD2 with an IC50 1.3 µM[1][2]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Fungal IC50: 1.3 µM (17β-HSD2)[1] References [1]. Engeli RT, et al. Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases. Int J Mol Sci. 2017 Sep 19;18(9). pii: E2007. [2]. COHEN R, et al. Four new fungicides for Coccidioides immitis: 1. Sodium caprylate. 2. Ethyl vanillate 3. Fradicin. 4. Thiolutin. Arch Pediatr. 1951 Jun;68(6):259-64. Chemical & Physical Properties Molecular Formula C10H12O4 Exact Mass 196.073563 PSA 55.76000 Index of Refraction 1.528 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| 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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