4-(2-Phenyl-2-propanyl)phenol

Basic Information

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CAS Number

599-64-4

Molecular Formula

C15H16O

Molecular Weight

212.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

72.0 to 76.0 deg-C

Boiling Point

335 °C

Flash Point

160 ºC

Refractive Index

1.5725 (estimate)

SMILES

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CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3

InChIKey

QBDSZLJBMIMQRS-UHFFFAOYSA-N

LogP

3.7181000000000024

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

208

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Stability

Stable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides. Combustible.

Synonyms & References

English

4-Isopropylphenyl phenol
TimTec1_002380
SCHEMBL51117
2-Phenyl-2-(p-hydroxyphenyl)propane
Phenol, p-(.alpha.,.alpha.-dimethylbenzyl)-
NCGC00253961-01
Phenol, p-(alpha,alpha-dimethylbenzyl)-
Phenol, 4-(1-methyl-1-phenylethyl)-
Tox21_300056
AI3-08269
4-(1-Methyl-1-phenylethyl)-phenol
Phenol,.alpha.-dimethylbenzyl)-
p--cumylphenol
DB06902
4-(1-Methyl-1-phenylethyl)phenol
4-(.alpha.,.alpha.-Dimethylbenzyl)phenol
p-(alpha,alpha-Dimethylbenzyl)phenol
NSC6237
4-(2-Phenylisopropyl) phenol
Tox21_201297
1OH
4-.ALPHA.-CUMYLPHENOL
[1, ar'-(1-methylethyl)-
CAS-599-64-4
PHENYLISOPROPYL)PHENOL, 4-(2-
p-Cumylphenol
EC 209-968-0
2zas
CCRIS 8908
NCGC00258849-01
CHEBI:35092

MDL Number

MFCD00002365

Customs Code

29071990

FAQ

What are the physical and chemical properties of 4-(2-Phenyl-2-propanyl)phenol (CAS: 599-64-4)?

4-(2-Phenyl-2-propanyl)phenol is a white to off-white crystalline solid with a molecular weight of approximately 226.31 g/mol. It has a moderate solubility in water and is highly soluble in organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can react with strong oxidizing agents. It has a distinct aromatic odor and is often used in various industrial applications due to its chemical reactivity and stability.

How is 4-(2-Phenyl-2-propanyl)phenol (CAS: 599-64-4) typically synthesized?

4-(2-Phenyl-2-propanyl)phenol is commonly synthesized through a multistep process involving the reaction of phenylacetaldehyde with phenol followed by reduction. This synthesis typically utilizes catalytic hydrogenation over a palladium-on-carbon catalyst. The process yields the target compound in good to excellent selectivity, with a yield ranging from 70% to 90%. The reaction is carried out under mild conditions and requires careful monitoring to ensure optimal product formation.

What industries use 4-(2-Phenyl-2-propanyl)phenol (CAS: 599-64-4)?

4-(2-Phenyl-2-propanyl)phenol is utilized in various industries due to its unique chemical properties. It is commonly used in the pharmaceutical industry as an intermediate in drug synthesis. In the polymer industry, it serves as a stabilizer and antioxidant. It is also employed in the production of sensors and semiconductors due to its electronic properties. Additionally, this compound finds applications in the cosmetic industry as a fragrance component.

What precautions should be taken when handling 4-(2-Phenyl-2-propanyl)phenol (CAS: 599-64-4)?

When handling 4-(2-Phenyl-2-propanyl)phenol, it is essential to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. Work in a well-ventilated area or fume hood to minimize exposure to vapors. Spills should be cleaned up with caution using appropriate absorbent materials. In case of contact with skin or eyes, rinse thoroughly with water. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures. Storage should be done in a cool, dry place, away from heat and direct sunlight.