Ethyl 4-hydroxy-3-methoxybenzoate
- Product Name
- Ethyl 4-hydroxy-3-methoxybenzoate
- CAS No.
- 617-05-0
- Chemical Name
- Ethyl 4-hydroxy-3-methoxybenzoate
- Synonyms
- ERLOTINIBIM-U;ERLOTINIBIM-D;Ethyl Vanillat;Ethyl vanilate;2-Iodoanilline;ETHYL VANILLATE;Ethylvanillate,97%;RARECHEM AL BI 0101;TIMTEC-BB SBB005892;VANILIC ACID ETHYL ESTER
- CBNumber
- CB0704344
- Molecular Formula
- C10H12O4
- Formula Weight
- 196.2
- MOL File
- 617-05-0.mol
Ethyl 4-hydroxy-3-methoxybenzoate Property
- Melting point:
- 43-45°C
- Boiling point:
- 108-110 °C (2 mmHg)
- Density
- 1.2166 (rough estimate)
- refractive index
- 1.5430 (estimate)
- Flash point:
- 293°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.36±0.18(Predicted)
- form
- Solid
- color
- White to Off-White
- Odor
- at 100.00 %. phenolic burnt guaiacol smoky powdery metallic
- Odor Type
- phenolic
- BRN
- 2100025
- InChIKey
- MWAYRGBWOVHDDZ-UHFFFAOYSA-N
- LogP
- 2.741 (est)
- CAS DataBase Reference
- 617-05-0(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester(617-05-0)
- EPA Substance Registry System
- Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester (617-05-0)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 22-36/37/38
- Safety Statements
- 22-24/25-26
- WGK Germany
- 3
- RTECS
- YW5425000
- TSCA
- Yes
- HS Code
- 29189900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- S459267
- Product name
- ETHYL VANILLATE
- Purity
- Aldrich<sup>CPR</sup>
- Packaging
- 1 unit
- Price
- $185
- Updated
- 2025/07/31
- Product number
- S459267
- Product name
- ETHYL VANILLATE
- Purity
- Aldrich
- Packaging
- 50mg
- Price
- $179
- Updated
- 2024/03/01
- Product number
- V0051
- Product name
- Ethyl Vanillate
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $113
- Updated
- 2025/07/31
- Product number
- V0051
- Product name
- Ethyl Vanillate
- Purity
- >98.0%(GC)
- Packaging
- 250g
- Price
- $636
- Updated
- 2022/04/27
- Product number
- E931978
- Product name
- Ethyl vanillate
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
Ethyl 4-hydroxy-3-methoxybenzoate Chemical Properties,Usage,Production
Chemical Properties
Solid. Insoluble in water; soluble in alcohol and ether.
Uses
Food preservative, medicine, sunburn preventive.
Definition
ChEBI: Ethyl vanillate is a methoxybenzoic acid.
Synthesis
64-17-5
121-34-6
617-05-0
Synthesis of ethyl 4-hydroxy-3-methoxybenzoate: In a round-bottomed flask equipped with a nitrogen inlet and a magnetic stirrer, a solution of vanillic acid (10 g, 59.49 mmol) in anhydrous ethanol (400 mL) was added. Concentrated hydrochloric acid (600 mg, 6.11 mmol) was slowly added to the above solution, followed by dropwise addition of concentrated sulfuric acid. The reaction mixture was stirred under reflux conditions for 48 hours. After completion of the reaction, the solvent was removed using a rotary evaporator. Deionized water (100 mL) was added to the residue, and the green oily material was separated and discarded through a partition funnel. The resulting product was dried under vacuum to afford ethyl 4-hydroxy-3-methoxybenzoate (11.45 g, 98% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.62 (dd, J = 8.5, 2.1 Hz, 1H), 7.53 (d, J = 1.8 Hz, 1H), 6.91 (d, J = 8.6 Hz, 1H), 4.33 (q, J = 7.1 Hz, 2H), 3.91 (s, 3H), 1.36 (t, J = 7.3 Hz, 3H). Hz, 3H).HPLC-MS analysis showed the expected molecular ion peak m/z 197 (MH+) and measured m/z 197.
References
[1] Patent: WO2017/62804, 2017, A1. Location in patent: Paragraph 0070
[2] Patent: WO2018/144900, 2018, A1. Location in patent: Page/Page column 47-48
[3] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 13, p. 4279 - 4290
[4] Chemische Berichte, 1877, vol. 10, p. 60 Anm.
[5] Molecular crystals and liquid crystals, 1982, vol. 99, # 1-4, p. 279 - 284
Ethyl 4-hydroxy-3-methoxybenzoate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 4-hydroxy-3-methoxybenzoate manufacturers
- Product
- Ethyl 4-hydroxy-3-methoxybenzoate 617-05-0
- Price
- US $10.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100 mt
- Release date
- 2024-11-11
- Product
- Ethyl 4-hydroxy-3-methoxybenzoate 617-05-0
- Price
- US $55.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20 tons
- Release date
- 2024-11-21
- Product
- Ethyl vanillate 617-05-0
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 97.5%
- Supply Ability
- 100 tons
- Release date
- 2022-02-20