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| | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Basic information |
| Product Name: | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate | | Synonyms: | 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONIC ACID METHYL ESTER;Benzenepropanoicacid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,methylester;Hydrocinnamicacid,3,5-di-tert-butyl-4-hydroxy-,methylester;ralox35;METHYL 3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE;METHYL 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONATE;METHYL 3-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]PROPANOATE;METHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE | | CAS: | 6386-38-5 | | MF: | C18H28O3 | | MW: | 292.41 | | EINECS: | 228-985-4 | | Product Categories: | Carboxylic;Aromatic Esters;Industrial/Fine Chemicals | | Mol File: | 6386-38-5.mol |  |
| | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Chemical Properties |
| Melting point | 60-67°C | | Boiling point | 125-130 °C(Press: 0.1 Torr) | | density | 1.006±0.06 g/cm3(Predicted) | | refractive index | 1.5034 | | storage temp. | Inert atmosphere,Room Temperature | | solubility | soluble in Methanol | | pka | 12.17±0.40(Predicted) | | form | powder to crystal | | color | White to Almost white | | Water Solubility | 2.2mg/L at 20℃ | | Cosmetics Ingredients Functions | PERFUMING
ANTIOXIDANT | | InChI | InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 | | InChIKey | PXMJCECEFTYEKE-UHFFFAOYSA-N | | SMILES | C1(CCC(OC)=O)=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1 | | LogP | 4.866 (est) | | CAS DataBase Reference | 6386-38-5(CAS DataBase Reference) | | EPA Substance Registry System | Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate (6386-38-5) |
| Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 2918290090 |
| | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Usage And Synthesis |
| Uses | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate is an antioxidant that is used in polyethylene. | | Definition | ChEBI: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester is an alkylbenzene. | | Synthesis | (1) 2,6-di-tert-butylphenol (20.6 g), zinc carbonate (mass ratio 1.5) and tributyltin acetate (0.072 g) were added to a three-necked flask fitted with a mechanical stirrer, a nitrogen introduction tube and a dropping funnel under nitrogen atmosphere. The mixture was melted under nitrogen protection and heating conditions to form a reaction system.
(2) When the temperature of the reaction system rose to 70°C, methyl acrylate (8.24 g) was slowly added through a dropping funnel. After the dropwise addition was completed, the reaction was continued with stirring for 0.5 hours. The reaction temperature was then raised to 90 °C and maintained for 1 hour. After completion of the reaction, it was cooled to 80 °C and the reaction solution was adjusted to neutral with dilute hydrochloric acid to induce crystallization of the product. After filtration, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate was obtained in 99% yield and 99.5% purity without recrystallization. | | References | [1] Patent: CN108358781, 2018, A. Location in patent: Paragraph 0046-0049
[2] Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989, vol. 38, # 8.2, p. 1677 - 1682
[3] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989, # 8, p. 1829 - 1835 |
| | Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Preparation Products And Raw materials |
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