Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate

Basic Information

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CAS Number

6386-38-5

Molecular Formula

C18H28O3

Molecular Weight

292.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

65.0 to 69.0 deg-C

Boiling Point

130°C/0.1mmHg

Density

Refractive Index

1.5

SMILES

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COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

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

LogP

4.092800000000003

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

325

Safety Information

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GHS Hazard Pictograms

H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
METHY(3,5-DI -TERT -BUTYL -4- HYDROXYPHENYL)-PROPIONATE
Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Methyl 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-propanoate
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic Acid Methyl Ester
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
35RWF1ITXJ
Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate
PXMJCECEFTYEKE-UHFFFAOYSA-N
methyl 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propanoate
Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepr

MDL Number

MFCD00210461

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5)?

Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5) has a crystalline form and a molecular weight of approximately 364.5 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. It shows moderate reactivity in organic reactions, particularly ester hydrolysis and esterification.

How is Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5) typically synthesized?

Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5) is synthesized through a multistep process involving the protection of the phenolic hydroxyl group, subsequent coupling with the desired alkyl substituents, and final esterification. Common catalysts used include organocatalysts and Lewis acids, achieving high selectivity and yield.

What industries use Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5)?

Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5) is primarily used in the pharmaceutical industry for drug synthesis, and in polymer production for its reactive properties. It also finds applications in the development of sensors and semiconductors due to its chemical versatility.

What precautions should be taken when handling Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5)?

When handling Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6386-38-5), wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Use in a well-ventilated area or a fume hood to avoid inhalation. Dispose of any spills according to local regulations and consult the Safety Data Sheet (SDS) for detailed instructions.