1-Ethynyl-4-isopropylbenzene

Basic Information

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CAS Number

23152-99-0

Molecular Formula

C11H12

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

193.8±19.0 ºC (760 Torr),

Flash Point

60.3±15.6 ºC,

Refractive Index

1.518

SMILES

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CC(C)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C11H12/c1-4-10-5-7-11(8-6-10)9(2)3/h1,5-9H,2-3H3

InChIKey

CODCGGILXPHCLE-UHFFFAOYSA-N

LogP

2.79130

Complexity

150

Safety Information

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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

Synonyms & References

English

A905830
1-ethynyl-4-isopropyl-benzene
Q-102458
FS-5012
4'-Isopropylphenyl acetylene
23152-99-0
4'-Isopropylphenylacetylene
Benzene,1-ethynyl-4-(1-methylethyl)-
EN300-234947
F9995-1215
4-(1-methylethyl)phenylethyne
1-ethynyl-4-(propan-2-yl)benzene
AKOS010651606
4-(2-propyl)phenylacetylene
1-ethynyl-4-(1-methylethyl)benzene
A4897
1-ETHYNYL,4-ISOPROPYL-BENZENE (4-ISOPROPYL-PHENYLACETYLENE)
CODCGGILXPHCLE-UHFFFAOYSA-N
SY238622
benzene, 1-ethynyl-4-(1-methylethyl)-
1-ethynyl-4-isopropylbenzene
4'-isopropylphenyl acetylene, AldrichCPR
4-isopropylphenylacetylene
CS-0076922
DTXSID10945832
p-isopropylphenylacetylen
InChI=1/C11H12/c1-4-10-5-7-11(8-6-10)9(2)3/h1,5-9H,2-3H
1-ethynyl-4-(1-methylethyl)-benzene
FT-0638302
1-ethynyl-4-propan-2-ylbenzene
MFCD03839988

MDL Number

MFCD03839988

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Ethynyl-4-isopropylbenzene (CAS: 23152-99-0)?

1-Ethynyl-4-isopropylbenzene is a crystalline solid with a molecular weight of approximately 160.21 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is less reactive than its parent compound due to the presence of the vinyl group, which can participate in electrophilic aromatic substitution. It is stable under normal conditions but may react with strong bases or acids.

How is 1-Ethynyl-4-isopropylbenzene (CAS: 23152-99-0) typically synthesized?

1-Ethynyl-4-isopropylbenzene is commonly synthesized via the Friedel-Crafts alkylation of toluene with propargyl bromide in the presence of aluminum chloride as a catalyst. The process yields a mixture of isomers, with the desired compound being the major product. The reaction is carried out at high temperatures to ensure selectivity and high yield.

What industries use 1-Ethynyl-4-isopropylbenzene (CAS: 23152-99-0)?

1-Ethynyl-4-isopropylbenzene finds applications in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also used in the production of polymers and as a precursor for sensors and semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 1-Ethynyl-4-isopropylbenzene (CAS: 23152-99-0)?

When handling 1-Ethynyl-4-isopropylbenzene, it is important to use 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. Spills should be cleaned up with appropriate absorbents and the material safety data sheet (MSDS) should be consulted for specific instructions. Storage should be in a cool, dry place away from direct sunlight and sources of heat.