Methyl 4-ethynylbenzoate

Basic Information

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CAS Number

3034-86-4

Molecular Formula

C10H8O2

Molecular Weight

160.17 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

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

93.0 to 97.0 deg-C

Boiling Point

239.4°C at 760 mmHg

Water Solubility

Sparingly soluble in water (0.16 g/L at 25°C).

Flash Point

92.0±20.0 ºC,

Refractive Index

1.537

SMILES

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

InChI

InChI=1S/C10H8O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7H,2H3

InChIKey

JPGRSTBIEYGVNO-UHFFFAOYSA-N

LogP

1.45450

Complexity

203

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Ethynylbenzoic acid methyl ester
InChI=1/C10H8O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7H,2H
SY010689
AM85709
CS-W007435
Methyl 4-ethynyl-benzoate
Z1198151571
Methyl 4-ethynylbenzoate, >=90%
ETHYL6-METHYL-2-PYRIDINECARBOXYLATE9&
SCHEMBL255356
4-ethynylbenzoic acid methylester
YSWG063
EN300-176976
AKOS005255442
FT-0653213
DTXSID30348700
MFCD00168820
4-ETHYNYL-BENZOIC ACID METHYL ESTER
3034-86-4
benzoic acid, 4-ethynyl-, methyl ester
BCP07485
4-ethinylbenzoic acid methyl ester
W-202253
JPGRSTBIEYGVNO-UHFFFAOYSA-N
A20556
AB04259
AS-18277
Benzoic acid,4-ethynyl-,methyl ester
methyl4-ethynylbenzoate
WLZ3455
methyl 4-ethynylbenzoate

MDL Number

MFCD00168820

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 4-ethynylbenzoate (CAS: 3034-86-4)?

Methyl 4-ethynylbenzoate (CAS: 3034-86-4) falls under various regulatory guidelines including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations for European manufacturers, and FDA and EPA regulations for use in the United States. It is important to follow all relevant safety data sheets (SDS) and local regulations for handling and storage.

Are there alternatives to Methyl 4-ethynylbenzoate (CAS: 3034-86-4) in synthesis?

Synthesizers often use methyl 4-ethynylbenzoate (CAS: 3034-86-4) for its unique reactivity. However, alternatives like ethyl 4-ethynylbenzoate or phenylacetylene can be considered depending on the reaction conditions and desired properties. It’s important to evaluate the substituent’s effect on the final product and reaction mechanism.

What is the market or research trend for Methyl 4-ethynylbenzoate (CAS: 3034-86-4)?

Methyl 4-ethynylbenzoate (CAS: 3034-86-4) is currently trending in research for its use in organic synthesis and as a monomer in polymer chemistry. Market trends indicate increasing interest in its applications for developing new materials and pharmaceuticals. Research is focusing on its reactivity and potential in diverse synthesis pathways.

How should waste containing Methyl 4-ethynylbenzoate (CAS: 3034-86-4) be handled?

Waste containing methyl 4-ethynylbenzoate (CAS: 3034-86-4) should be collected in a closed, labeled container and disposed of according to local regulations. Incineration or professional waste disposal services are recommended to ensure safe and environmentally responsible disposal. Always follow local environmental protection guidelines and consult SDS for specific handling instructions.