[(2-Propyn-1-yloxy)methyl]benzene

Basic Information

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CAS Number

4039-82-1

Molecular Formula

C10H10O

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

223.9℃/760mmHg

Solubility

Soluble in chloroform.

Refractive Index

1.519-1.521

SMILES

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C#CCOCC1=CC=CC=C1

InChI

InChI=1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2

InChIKey

PAQVEXAFKDWGOT-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

136

Synonyms & References

English

BENZYL 2-PROPYNYL ETHER
propargylbenzyl ether
PAQVEXAFKDWGOT-UHFFFAOYSA-N
4039-82-1
prop-2-ynoxymethylbenzene
((Prop-2-yn-1-yloxy)methyl)benzene
benzyloxy prop-2-yne
Benzyl propargyl ether
MFCD00483987
SY025593
Prop-2-ynyloxymethyl-benzene
[(prop-2-yn-1-yloxy)methyl]benzene
SCHEMBL470893
1-benzyloxy-2-propyne
Benzene, [(2-propynyloxy)methyl]-
DTXSID50426059
((prop-2-ynyloxy)methyl)benzene
3-benzyloxy-1-propyne
AS-57669
H11649
CS-W016355
benzylpropargyl ether
FT-0690527
[(prop-2-ynyloxy)methyl]benzene
EN300-108535
CMLDBU00003569
Propargyl Benzyl Ether
AKOS025295297
Benzene,[(2-propyn-1-yloxy)methyl]-
[(2-propyn-1-yloxy)methyl]Benzene
Propargyl Benzyl Eth

MDL Number

MFCD00483987

Customs Code

2909309090

FAQ

What are the physical and chemical properties of [(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1)?

[(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1) is a colorless liquid with a molecular weight of approximately 162.16 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and chloroform. The compound is moderately reactive, particularly towards nucleophilic substitution and addition reactions. It is also prone to photodegradation under UV light.

How is [(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1) typically synthesized?

[(2-Propyn-1-yloxy)methyl]benzene can be synthesized through a series of reactions including the alkylation of a phenol with propyne followed by a substitution reaction. Commonly, this involves the use of sodium ethoxide in ethanol to generate the phenoxide ion, which then reacts with propyne to form the corresponding propynylphenol. Further substitution yields the final compound. The reaction typically proceeds with a yield of around 75-80%.

What industries use [(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1)?

[(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1) is used in several industries, primarily in the pharmaceutical sector for the synthesis of certain drug molecules. It is also utilized in the production of polymers and as a precursor in the development of organic electronic materials, such as semiconductors and organic light-emitting diodes (OLEDs).

What precautions should be taken when handling [(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1)?

Proper handling of [(2-Propyn-1-yloxy)methyl]benzene (CAS: 4039-82-1) requires the use of appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be handled with caution, using absorbent materials and disposing of waste according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.