1-Ethynyl-4-methylbenzene

Basic Information

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CAS Number

766-97-2

Molecular Formula

C9H8

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

168-170

Boiling Point

168°C

Density

0.916 g/mL at 25 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.547(lit.)

SMILES

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CC1=CC=C(C=C1)C#C

InChI

InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3

InChIKey

KSZVOXHGCKKOLL-UHFFFAOYSA-N

LogP

1.97630

Complexity

118

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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 3 Class 3

Synonyms & References

English

1-ethynyl-4-methyl-benzene
766-97-2
(p-Methylphenyl)ethyne
2-(4-Methylphenyl)acetylene
4-Ethynyltoluene
p-Methylphenylacetylene
NS00037832
4-Methylphenylacetylene
PS-3182
AKOS005146079
4-Methylethynylbenzene
p-toluylacetylene
4-05-00-01531 (Beilstein Handbook Reference)
A9722
EN300-99194
4-ethynyl toluene
4-methyl phenylacetylene
1-Methyl-4-ethynylbenzene
MFCD00008571
p-Ethynyltoluene
E0655
FT-0632915
4-tolylacetylene
Benzene, 1-ethynyl-4-methyl- (9CI)
CHEBI:177630
Benzene, 1-ethynyl-4-methyl-
p-Tolyacetylene
BRN 0969653
DTXSID30227420
1-Ethynyl-4-methylbenzene
Q-102461

MDL Number

MFCD00008571

Customs Code

2902909090

FAQ

What is 1-Ethynyl-4-methylbenzene (CAS: 766-97-2)?

1-Ethynyl-4-methylbenzene is a chemical compound with the CAS number 766-97-2. Its chemical formula is C<sub>8</sub>H<sub>8</sub>. This compound is a colorless solid with a distinctive odor. It is characterized by its aromatic structure with a methyl group and an ethynyl substituent.

What are the main uses of 1-Ethynyl-4-methylbenzene (CAS: 766-97-2)?

1-Ethynyl-4-methylbenzene is primarily used in the synthesis of other organic compounds, particularly in the pharmaceutical and chemical industries. It serves as a key intermediate in the production of various pharmaceuticals and materials.

Is 1-Ethynyl-4-methylbenzene (CAS: 766-97-2) safe?

1-Ethynyl-4-methylbenzene can be toxic if ingested or inhaled. Proper handling is necessary to avoid skin contact and inhalation. It is important to follow safety standards, use appropriate personal protective equipment (PPE), and ensure good ventilation when working with this compound.

How should 1-Ethynyl-4-methylbenzene (CAS: 766-97-2) be stored?

1-Ethynyl-4-methylbenzene should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air. Storage temperature should be between 0°C and 25°C, and humidity should be controlled to avoid moisture exposure. Avoid storing it with oxidizing agents to prevent potential hazards.