CAS 617-05-0|Ethyl vanillate
Introduction：Basic information about CAS 617-05-0|Ethyl vanillate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ethyl vanillate | ||
|---|---|---|---|
| CAS Number | 617-05-0 | Molecular Weight | 196.200 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 292.0±0.0 °C at 760 mmHg |
| Molecular Formula | C10H12O4 | Melting Point | 43-45°C |
| MSDS | ChineseUSA | Flash Point | 122.4±15.8 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Ethyl 4-hydroxy-3-methoxybenzoate |
|---|---|
| Synonym | More Synonyms |
Ethyl vanillate BiologicalActivity
| Description | Ethyl Vanillate is a fungicidal agent. Ethyl Vanillate inhibits 17β-HSD2 with an IC50 1.3 µM[1][2]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling 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 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 1,138,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06395
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 1,138,1955
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Phrases | 22-36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| RTECS | YW5425000 |
| HS Code | 2918990090 |
Customs
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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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 |
