1-Phenylbutane-1,4-diol

Basic Information

View in Editor

CAS Number

4850-50-4

Molecular Formula

C10H14O2

Molecular Weight

166.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

316.1°C at 760 mmHg

Density

1.1

Flash Point

153.9°C

Refractive Index

1.55

SMILES

View in Editor

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

InChI

InChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2

InChIKey

OKWLUBCSBVYYTC-UHFFFAOYSA-N

LogP

1.4924999999999997

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

108

Synonyms & References

English

1-phenylbutane-1,4-diol
1,3-Butanedione,1-phenyl
1,4-dihydroxy-1-phenylbutane
1-Benzoyl-2-propanone
1-benzoylacetone
1-phenyl-1,3-butanedione
1-phenyl-1,4-butandiol
1-phenyl-1,4-butanediol
1-phenyl-butane-1,3-dione
1-phenyl-butane-1,4-diol
2-Acetylacetophenone
4-phenyl-4-hydroxybutanol
Acetoacetophenone
acetyl acetophenone
Acetylbenzoylmethane
benzoyl acetone
G63574
MFCD00030009
SCHEMBL2316371
4850-50-4
DB-363756
1-Phenyl-butane-1,4-diol
OKWLUBCSBVYYTC-UHFFFAOYSA-N
NCIOpen2_001888
NSC-98557
AM10014
AKOS017516318
NSC98557
DTXSID701313550

MDL Number

MFCD00030009

FAQ

What are the physical and chemical properties of 1-Phenylbutane-1,4-diol (CAS: 4850-50-4)?

1-Phenylbutane-1,4-diol is a colorless, crystalline solid. Its molecular weight is approximately 152.21 g/mol. It is slightly soluble in water but more soluble in organic solvents. Chemically, it is stable in air but reacts with strong acids and bases. It is a reducing agent and can be oxidized easily.

How is 1-Phenylbutane-1,4-diol (CAS: 4850-50-4) typically synthesized?

1-Phenylbutane-1,4-diol is typically synthesized via the reduction of 1-Phenylbutane-1,4-dione using sodium borohydride. The reaction is carried out in an aqueous solution with a high yield and good selectivity. The use of a catalyst may enhance the reaction rate and product purity.

What industries use 1-Phenylbutane-1,4-diol (CAS: 4850-50-4)?

1-Phenylbutane-1,4-diol is used in the pharmaceutical industry for synthesizing certain drugs. It is also used in the polymer industry as a precursor for functional polymers. Additionally, it can be applied in the production of sensors and semiconductors as a chemical intermediate.

What precautions should be taken when handling 1-Phenylbutane-1,4-diol (CAS: 4850-50-4)?

When handling 1-Phenylbutane-1,4-diol, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a fume hood or a well-ventilated area to prevent inhalation or skin contact. In the event of a spill, clean it up according to the safety data sheet (SDS) and ensure proper disposal. Always refer to the SDS for detailed safety information.