3-(2-Methyl-2-propanyl)phenol

Basic Information

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CAS Number

585-34-2

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

41.0 to 45.0 deg-C

Boiling Point

132°C/20mmHg

Refractive Index

1.5108 (estimate)

SMILES

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CC(C)(C)c1cccc(O)c1

InChI

InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3

InChIKey

CYEKUDPFXBLGHH-UHFFFAOYSA-N

LogP

2.689700000000001

pKa

10.12(at 25℃)

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

123

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

3-tert-Butylphenol
M-T-BUTYLPHENOL
M-TERT-BUTYLPHENOL
PHENOL, 3-(1,1-DIMETHYLETHYL)-
3-(1,1-dimethylethyl)-pheno
3-(1,1-dimethylethyl)-Phenol
3-t-Butylphenol
Phenol, 3-tert-butyl-
Phenol, m-tert-butyl-
3-TERT-BUTYL-PHENYLAMINE
ATHX380
3-tert-Butylphenolneat
3-tert-butyl-phenol
3-tetr-butylphenol
meta-tert-butylphenol
Phenol,m-tert-butyl
3-(tert-butyl)phenol
CYEKUDPFXBLGHH-UHFFFAOYSA-N
2382U55WN2
ST50824235
3-tertbutylphenol
3-tert.butylphenol
m-tert.-butylphenol
3-tert.-butylphenol
3-tert-Butylphenol;
3-tert-Butyl phenol
C14188
3-te

MDL Number

MFCD00002300

FAQ

What is 3-(2-Methyl-2-propanyl)phenol (CAS: 585-34-2)?

3-(2-Methyl-2-propanyl)phenol, also known as 3-tert-butylphenol, is a chemical compound with the formula C10H14O. It is a colorless to pale yellow liquid with a phenolic odor, commonly used as a synthetic intermediate. The compound exhibits moderate solubility in organic solvents and is stable under normal storage conditions.

What are the main uses of 3-(2-Methyl-2-propanyl)phenol (CAS: 585-34-2)?

This compound is primarily used in pharmaceuticals as a precursor for drug synthesis, in the fragrance industry for creating aromatic compounds, and in industrial applications for polymer production. It also serves as a research reagent for organic chemistry experiments and may be used in food additives as a flavoring agent. Its versatility makes it valuable in chemical manufacturing processes.

Is 3-(2-Methyl-2-propanyl)phenol (CAS: 585-34-2) safe?

3-(2-Methyl-2-propanyl)phenol is toxic if ingested, inhaled, or absorbed through the skin. It requires proper handling with protective equipment such as gloves, goggles, and ventilation. Safety standards classify it as a hazardous chemical, necessitating adherence to OSHA and REACH regulations to minimize health and environmental risks.

How should 3-(2-Methyl-2-propanyl)phenol (CAS: 585-34-2) be stored?

Store 3-(2-Methyl-2-propanyl)phenol in a cool, dry, and dark place, ideally below 25°C. Keep it in a sealed container to prevent evaporation and contamination. Avoid exposure to heat, moisture, and air to maintain stability. Ensure storage in a well-ventilated area away from incompatible materials.