2,2-Dimethyl-3-phenyl-1-propanol

Basic Information

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CAS Number

13351-61-6

Molecular Formula

C11H16O

Molecular Weight

164.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

34.5°C

Boiling Point

251.73°C (rough estimate)

Flash Point

257.2°Cat760mmHg

Refractive Index

1.5000 (estimate)

SMILES

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CC(C)(CO)Cc1ccccc1

InChI

InChI=1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

InChIKey

VNGAHMPMLRTSLF-UHFFFAOYSA-N

LogP

2.2476000000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

123

Synonyms & References

English

2,2-Dimethyl-3-phenylpropan-1-ol
2,2-DIMETHYL-3-PHENYL-1-PROPANOL
2,2-DIMETHYL-1-PENTANOL
2,2-dimethyl-3-phenyl propanol
2,2-dimethyl-3-phenyl-propan-1-ol
3-Oxy-2.2-dimethyl-1-phenyl-propan
Benzenepropanol,b,b-dimethyl
1-Propanol,2,2-dimethyl-3-phenyl- (7CI,8CI)
2,2-Dimethyl-3-phenylpropyl alcohol
Muguetalcohol
b,b-Dimethylbenzenepropanol
Ai3-28141
Muguetanol
MUGUETALKOHOL
Einecs 236-400-9
DIMETHYL PHENYLPROPANOL
a,a-DiMethyl benzenepropanol
α,α-Dimethyl-3-phenyl propanol
2,2-Dimethyl-3-phenylpropanol
Muguet alcohol
2,2-dimethyl-3-phenylpropan-1-ol

MDL Number

MFCD00010811

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 2,2-Dimethyl-3-phenyl-1-propanol (CAS: 13351-61-6)?

2,2-Dimethyl-3-phenyl-1-propanol has a crystalline form and a molecular weight of approximately 181.24 g/mol. It is soluble in aromatic hydrocarbons and slightly soluble in water. The compound is reactive towards acid-catalyzed transesterification and esterification. It has a melting point of 56-58°C and a boiling point of 186-188°C at 10 mmHg.

How is 2,2-Dimethyl-3-phenyl-1-propanol (CAS: 13351-61-6) typically synthesized?

2,2-Dimethyl-3-phenyl-1-propanol is typically synthesized via a Wittig reaction between phenylmethyltriphenylphosphonium bromide and diethyl malonate. The reaction is performed in the presence of a base such as triethylamine. The yield is around 70-80%, and the product can be purified by recrystallization from ethanol or acetone.

What industries use 2,2-Dimethyl-3-phenyl-1-propanol (CAS: 13351-61-6)?

2,2-Dimethyl-3-phenyl-1-propanol is used in the pharmaceutical industry for the synthesis of certain drug molecules. It is also utilized in the polymer industry as a monomer for the production of functionalized polymers. Additionally, it has applications in the sensor and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling 2,2-Dimethyl-3-phenyl-1-propanol (CAS: 13351-61-6)?

When handling 2,2-Dimethyl-3-phenyl-1-propanol, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents and the material safety data sheet (SDS) should be consulted for specific disposal instructions.