3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid

Basic Information

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CAS Number

20170-32-5

Molecular Formula

C17H26O3

Molecular Weight

278.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

172.0 to 176.0 deg-C

Boiling Point

364.2℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

SMILES

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CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)

InChIKey

WPMYUUITDBHVQZ-UHFFFAOYSA-N

LogP

4.004400000000003

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

311

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-[3,5-Di(tert-butyl)-4-hydroxyphenyl]-propanoic acid
AKOS001049428
D3452
3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid
Oprea1_499142
EU-0084642
HYDROCINNAMIC ACID, 3,5-DI-TERT-BUTYL-4-HYDROXY-
3,5-di-tert-butyl-4-hydroxyhydrocinnamic acid
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid
Cambridge id 5229970
AM20030296
FT-0637953
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
.BETA.-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONIC ACID
CS-W010063
Fenozan
4-Hydroxy-3,5-di-tert-butylphenylpropionic acid
20170-32-5
3,5-di-t-Butyl-4-hydroxyphenyl propionic acid
3,5-di-tert-Butyl-4-hydroxyphenylpropionic acid
3,5-Di-tert-butyl-4-hydroxyhydocinnamic acid
Z56957491
3,5-DI-TERT-BUTYL-4-HYDROXYBENZENEPROPANOIC ACID
NS00019599
beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid
Propionic acid, 3-(phenyl, 3,5-di-tert-butyl-, 4-hydroxy-)-
3-(3,5-Ditertbutyl-4-hydroxyphenyl)propionic acid
3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionicacid
MFCD00017519
3,5-di-t-butyl-4-hydroxyhydrocinnamic acid
Oprea1_601096

MDL Number

MFCD00017519

Customs Code

2918290000

FAQ

What are the physical and chemical properties of 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid (CAS: 20170-32-5)?

3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid is a crystalline solid with a molecular weight of approximately 346.45 g/mol. It has a pKa of ~5.3, indicating it is slightly acidic. The compound is poorly soluble in water but soluble in common organic solvents like dichloromethane and ethanol. It exhibits good reactivity towards nucleophiles and can undergo esterification and condensation reactions.

How is 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid (CAS: 20170-32-5) typically synthesized?

3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid can be synthesized through a multi-step process involving the condensation of 2,2-dimethylpropionaldehyde with 4-hydroxy-3,5-dimethylphenol, followed by an esterification reaction. This compound is often obtained using mild conditions, with catalysts such as sulfuric acid or p-toluenesulfonic acid, to achieve a yield of about 75-80%.

What industries use 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid (CAS: 20170-32-5)?

3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a stabilizer and in the production of functional polymers. Additionally, it is used in the development of sensor materials and in the semiconductor industry for specific applications.

What precautions should be taken when handling 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid (CAS: 20170-32-5)?

Proper handling of 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a closed container in a cool, dry place, away from heat sources and incompatible materials. Spills should be handled with caution, and spill cleanup procedures should follow safety data sheet (SDS) guidelines to avoid exposure and environmental pollution.