3,5-Bis(2-methyl-2-propanyl)benzoic acid

Basic Information

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CAS Number

16225-26-6

Molecular Formula

C15H22O2

Molecular Weight

234.34 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

173-175 °C

Boiling Point

314.3℃ at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

155.1℃

Refractive Index

1.5283 (estimate)

SMILES

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CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

InChIKey

NCTSLPBQVXUAHR-UHFFFAOYSA-N

LogP

3.9798000000000027

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

258

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

3,5-Di-t-butylbenzoic acid
AKOS000813611
3,5-ditert-butylbenzoic acid
3,5-Bis(tert-butyl)benzoic acid
3,5-di(t-butyl)benzoic acid
3,5-Ditertbutylbenzoic acid
3,5-Di-tert-butylbenzoic acid
16225-26-6
A882980
AG-672/25002598
5-Di-tert-butylbenzoic acid
J-009911
F9995-0424
EN300-20553
SCHEMBL501957
3,5-di-tert-butyl benzoic acid
Q63409848
NS00025299
NCTSLPBQVXUAHR-UHFFFAOYSA-
AM83998
3,5-Di-tert-butylbenzoicacid
FT-0601120
3,5-Di-t-butyl benzoic acid
3,5-Di-tert-butylbenzoic acid, 99%
EINECS 240-350-3
3,5-Di-tert-butyl-benzoic acid;3,5-Di-tert-butylbenzoic Acid
MFCD00082727
DTXSID20167341
SY009405
D2663
InChI=1/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

MDL Number

MFCD00082727

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3,5-Bis(2-methyl-2-propanyl)benzoic acid (CAS: 16225-26-6)?

3,5-Bis(2-methyl-2-propanyl)benzoic acid is a solid with a crystalline form. It has a molecular weight of approximately 250.38 g/mol. Solubility in water is low, around 0.1 g/L. Chemically, it is relatively stable but can react with strong bases to form its salts. It is less reactive towards acids and is often used in synthetic organic reactions.

How is 3,5-Bis(2-methyl-2-propanyl)benzoic acid (CAS: 16225-26-6) typically synthesized?

3,5-Bis(2-methyl-2-propanyl)benzoic acid is typically synthesized via the Friedel-Crafts alkylation of benzoic acid with 2-methyl-2-propanol. The reaction is catalyzed by aluminum chloride, and under these conditions, the stereochemistry at the 3 and 5 positions of the aromatic ring is controlled to yield the desired product with high selectivity.

What industries use 3,5-Bis(2-methyl-2-propanyl)benzoic acid (CAS: 16225-26-6)?

3,5-Bis(2-methyl-2-propanyl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the polymer industry as a monomer and in the production of certain organic semiconductors. Additionally, it finds applications in the development of sensors and as a reagent in organic synthesis.

What precautions should be taken when handling 3,5-Bis(2-methyl-2-propanyl)benzoic acid (CAS: 16225-26-6)?

When handling 3,5-Bis(2-methyl-2-proanyl)benzoic acid, it is recommended to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate chemical clean-up kits. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.