3-Ethynylphenol

Basic Information

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CAS Number

10401-11-3

Molecular Formula

C8H6O

Molecular Weight

118.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

230.9°C at 760 mmHg

Solubility

Miscible with dimethylformamide.

Refractive Index

n20/D 1.5840(lit.)

SMILES

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

InChI

InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H

InChIKey

AODMJIOEGCBUQL-UHFFFAOYSA-N

LogP

1.37350

Complexity

131

Safety Information

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GHS Hazard Pictograms

H302

H318

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

J-512654
3-Ethynyl-phenol
3-hydroxyphenyl acetylene
3-hydroxy-phenylacetylene
E1421
3-hydroxy-1-ethynylbenzene
SCHEMBL77655
3-Hydroxyphenylacetylene
3-Ethynylphenol
3-Hydroxyphenylacetylene, >=95.0%
AKOS015890807
DTXSID80146218
CS-W009224
10401-11-3
3-Ethynylphenol #
m-ethynylphenol
Phenol, 3-ethynyl-
EN300-174277
A847453
AC-25011
DS-2757
BCP07104
FT-0615855
SY036896
MFCD00078347
C8H6O
AODMJIOEGCBUQL-UHFFFAOYSA-N
SBB005886
FC0781
TRA0043827
RL00196

MDL Number

MFCD00078347

Customs Code

2907199090

FAQ

What regulatory guidelines apply to 3-Ethynylphenol (CAS: 10401-11-3)?

3-Ethynylphenol (CAS: 10401-11-3) is subject to regulatory guidelines under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for its health and environmental hazards. In the European Union, it falls under the REACH regulation, requiring manufacturers and importers to register and assess the risks of substances. FDA and EPA guidelines also apply, particularly for its use in pharmaceuticals and environmental safety concerns.

Are there alternatives to 3-Ethynylphenol (CAS: 10401-11-3) in synthesis?

Alternatives to 3-Ethynylphenol (CAS: 10401-11-3) in synthesis include other phenolic compounds such as 4-nitrophenol or 2-hydroxybenzoic acid. These alternatives can serve as effective substitutes depending on the specific requirements of the reaction, such as reactivity and functional group compatibility.

What is the market or research trend for 3-Ethynylphenol (CAS: 10401-11-3)?

The market for 3-Ethynylphenol (CAS: 10401-11-3) is growing due to its applications in the synthesis of pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor in the synthesis of complex organic molecules and its potential in medicinal chemistry. The increasing demand in these sectors is driving market growth.

How should waste containing 3-Ethynylphenol (CAS: 10401-11-3) be handled?

Waste containing 3-Ethynylphenol (CAS: 10401-11-3) should be collected and disposed of in accordance with local regulations. It is recommended to neutralize the waste before incineration or professional waste disposal to minimize environmental impact. Environmental protection measures should be taken to prevent contamination of soil and water. Always consult the latest safety data sheets (SDS) for specific handling instructions.