3-Buten-1-ylbenzene

Basic Information

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CAS Number

768-56-9

Molecular Formula

C10H12

Molecular Weight

132.21 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

-70°C

Boiling Point

181°C

Density

0.88 g/mL at 25 °C

Refractive Index

n20/D 1.507(lit.)

SMILES

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C=CCCC1=CC=CC=C1

InChI

InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2

InChIKey

PBGVMIDTGGTBFS-UHFFFAOYSA-N

LogP

2.805200000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

88.2

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

4-Phenylbut-1-ene
3-buten-1-ylbenzene
UNII-58584HOZ1Z
4-Phenyl-1-butene, 99%
4-Phenylbutene-1
4-PHENYL-1-BUTENE
1-Butene, 4-phenyl-
4-phenyl butene
AC-16193
NSC65603
DTXSID80227612
LS-13774
D91916
NCIOpen2_000307
AKOS009156430
58584HOZ1Z
768-56-9
WLN: 1U3R
Q27261558
but-3-en-1-ylbenzene
NSC-65603
EC 405-980-7
EN300-134660
NSC 65603
YGM
but-3-enyl-benzene
Benzene, 3-buten-1-yl-
NS00005147
3-Butenylbenzene
(but-3-en-1-yl)benzene
A838870

MDL Number

MFCD00026111

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 3-Buten-1-ylbenzene (CAS: 768-56-9)?

3-Buten-1-ylbenzene (CAS: 768-56-9) is a colorless liquid with a molecular weight of approximately 130.22 g/mol. It has a moderate solubility in water (0.5 g/100 mL at 20°C) and is soluble in most organic solvents. Chemically, it is relatively stable but can undergo substitution and addition reactions. It is a volatile compound with a boiling point of 153-155°C and a flash point of 77°C.

How is 3-Buten-1-ylbenzene (CAS: 768-56-9) typically synthesized?

3-Buten-1-ylbenzene can be synthesized via a Friedel-Crafts alkylation reaction where 1-butenyl chloride is introduced into benzene in the presence of a Lewis acid catalyst, such as aluminum chloride. Alternatively, it can be produced by the alkylation of toluene with 1-butyne using a heterogeneous catalyst like platinum on a carrier. The yield and selectivity can be controlled by adjusting the reaction conditions and catalyst type.

What industries use 3-Buten-1-ylbenzene (CAS: 768-56-9)?

3-Buten-1-ylbenzene (CAS: 768-56-9) is primarily used in the pharmaceutical industry for the synthesis of certain medications. It also finds applications in the polymer industry, where it can be incorporated into polymers to enhance their properties. Additionally, it can be used in the production of certain sensors and as a precursor in the semiconductor industry for specific manufacturing processes.

What precautions should be taken when handling 3-Buten-1-ylbenzene (CAS: 768-56-9)?

When handling 3-Buten-1-ylbenzene (CAS: 768-56-9), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, use appropriate containment measures and do not allow the compound to enter drains. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.