| Identification | More | [Name]
Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate | [CAS]
6386-38-5 | [Synonyms]
3-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-PROPIONIC ACID METHYL ESTER
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONIC ACID METHYL ESTER
METHYL 3-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]PROPANOATE
METHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE
METHYL 3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE
METHYL 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONATE
3,5-bis(1,1-dimethylethyl)-4-hydroxy-benzenepropanoicacimethylester
Benzenepropanoicacid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,methylester
Hydrocinnamicacid,3,5-di-tert-butyl-4-hydroxy-,methylester
ralox35
Methyl 3-(3,5-tertbutyl-4-hydroxyphenyl)propionate
3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZENEPROPIONIC ACID METHYL ESTER
Methyl-3(3,5-di-tert.-butyl-4-hydroxyphenyl)propionat
METHY(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL) PROPIONATE
3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoic acid methyl ester
3-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid methyl ester
3-(4-Hydroxy-3,5-di-tert-butylphenyl)propionic acid methyl ester
3,5-Di-tert-butyl-4-hydroxybenzenepropionic acid methyl ester | [EINECS(EC#)]
228-985-4 | [Molecular Formula]
C18H28O3 | [MDL Number]
MFCD00210461 | [Molecular Weight]
292.41 | [MOL File]
6386-38-5.mol |
| Chemical Properties | Back Directory | [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 | [form ]
powder to crystal | [pka]
12.17±0.40(Predicted) | [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]
6386-38-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS09 | [Signal word ]
Warning | [Hazard statements ]
H411 | [Precautionary statements ]
P501-P273-P391 | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
2918290090 |
| Hazard Information | Back Directory | [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
[4] Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989, vol. 38, # 8.2, p. 1677 - 1682
[5] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989, # 8, p. 1829 - 1835 |
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