Methyl 4-vinylbenzoate

Basic Information

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CAS Number

1076-96-6

Molecular Formula

C10H10O2

Molecular Weight

162.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

32-37 °C

Boiling Point

89-90 ºC (2 Torr)

Flash Point

111.3±7.7 ºC,

Refractive Index

1.5568 (589.3 nm 25 ºC)

SMILES

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COC(=O)C1=CC=C(C=C1)C=C

InChI

InChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3

InChIKey

NUMHUJZXKZKUBN-UHFFFAOYSA-N

LogP

2.1162

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

167

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

methyl4-vinylbenzoate
AKOS015894305
FT-0633306
DS-2786
Benzoic acid, p-vinyl-, methyl ester
SY104735
methyl 4-ethenylbenzoate
HY-W008542
J-002001
Methyl 4-vinylbenzoate, 97%
DTXSID30342586
SCHEMBL13123692
EN300-220234
4-Ethenyl-benzoic acid methyl ester
1076-96-6
Benzoic acid, 4-ethenyl-, methyl ester
SCHEMBL181754
MFCD00017218
Methyl-4-vinylbenzoate
Methyl p-vinylbenzoate
Methyl 4-vinylbenzoate
CS-W008542
AM20020178
Benzoic acid,4-ethenyl-, methyl ester
p-Vinylbenzoic acid methyl ester
4-VINYL-BENZOIC ACID METHYL ESTER
4-ethenyl-Benzoic acid Methyl ester
4-Styrenecarboxylic acid methyl ester
Methyl 4-vinylbenzoate 97%
NUMHUJZXKZKUBN-UHFFFAOYSA-N
4-Vinyl benzoic Acid Methyl Ester

MDL Number

MFCD00017218

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 4-vinylbenzoate (CAS: 1076-96-6)?

Methyl 4-vinylbenzoate (CAS: 1076-96-6) is a colorless to light yellow liquid with a benzaldehyde-like odor. It has a molecular weight of approximately 154.21 g/mol. This compound is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. It is known for its reactivity towards nucleophiles and electrophiles, making it useful in organic synthesis and as a monomer for polymerization.

How is Methyl 4-vinylbenzoate (CAS: 1076-96-6) typically synthesized?

Methyl 4-vinylbenzoate is typically synthesized via the reaction of benzaldehyde and vinylmagnesium bromide in the presence of a proton scavenger like triethylamine. This reaction is highly selective, yielding high purity Methyl 4-vinylbenzoate with good to excellent yield depending on the reaction conditions and catalyst choice.

What industries use Methyl 4-vinylbenzoate (CAS: 1076-96-6)?

Methyl 4-vinylbenzoate (CAS: 1076-96-6) is used in various industries including pharmaceuticals for the synthesis of certain drugs, polymers due to its vinyl group for copolymerization, and as a fragrance component in the perfume industry. It is also utilized in the production of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling Methyl 4-vinylbenzoate (CAS: 1076-96-6)?

When handling Methyl 4-vinylbenzoate (CAS: 1076-96-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation to minimize exposure. Spills should be cleaned up immediately using absorbent materials and appropriate chemical waste disposal procedures. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.