Phenol, 3-ethynyl- (9CI)
3-Hydroxyphenylacetylene
CAS: 10401-11-3
Molecular Formula: C8H6O
Phenol, 3-ethynyl- (9CI) - Names and Identifiers
| Name | 3-Hydroxyphenylacetylene |
| Synonyms | 3-ETHYNYLPHENOL 3-Ethynylphenol 4-ETHYNYL-PHENOL TIMTEC-BB SBB005886 3-Hydroxyphenylacetylene M-HYDROXYPHENYLACETYLENE 3-HYDROXYPHENYLACETYLENE Phenol, 3-ethynyl- (9CI) 3-HYDROXYPHENYLACETYLENE (3-Ethynylphenol) |
| CAS | 10401-11-3 |
| InChI | InChI=1/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H |
Phenol, 3-ethynyl- (9CI) - Physico-chemical Properties
| Molecular Formula | C8H6O |
| Molar Mass | 118.13 |
| Density | 1.083g/mLat 25°C(lit.) |
| Melting Point | 64-66 °C |
| Boling Point | 75°C 3mm |
| Flash Point | 218°F |
| Solubility | Miscible with dimethylformamide. |
| Vapor Presure | 0.0424mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | White to pale yellow |
| BRN | 2076613 |
| pKa | 9.30±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | n20/D 1.5840(lit.) |
Phenol, 3-ethynyl- (9CI) - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R41 - Risk of serious damage to eyes R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | 2810 |
| WGK Germany | 2 |
| HS Code | 29071990 |
| Hazard Class | 8 |
| Packing Group | Ⅲ |
Phenol, 3-ethynyl- (9CI) - Introduction
3-Hydroxyphenylacetylene, also known as phenylacetylene phenol, is an organic compound. Its molecular formula is C8H8O, structural formula is C6H5C ≡ CCH2OH. The following is a description of its nature, use, preparation and safety information:
1. nature:
-Appearance: 3-hydroxyphenylacetylene is a colorless to pale yellow solid.
-Solubility: It can be dissolved in many organic solvents (such as ethanol, ether and chloroform).
-Melting point: Its melting point is about 51-54 degrees Celsius.
-Reactivity: 3-hydroxyphenylacetylene can undergo acid-base neutralization reaction under acidic conditions to generate the corresponding salt.
2. use:
-Research and experiment: It can be used as a reagent and intermediate in organic synthesis, such as for the synthesis of other organic compounds.
-Drugs: 3-hydroxyphenylacetylene has some biological activities and can be used as raw materials for drug research.
-Preservative: Due to its antioxidant properties and inhibition of microbial growth, it can be used in certain preservatives.
3. Preparation method:
A common preparation method is to obtain 3-hydroxyphenylacetylene by reacting phenol and bromoethane under alkaline conditions. Specific steps are as follows:
a. The phenol is reacted with an alkaline solution (such as sodium hydroxide) to generate a phenol anion.
B. Bromoethane is added to the reaction system to undergo a nucleophilic substitution reaction with phenol anions to obtain 3-hydroxyphenylacetylene.
4. Safety Information:
-3-hydroxyphenylacetylene has a certain irritation, so pay attention to protective measures when contacting, such as wearing gloves and goggles.
-During the operation, avoid inhaling its dust or solution and avoid contact with the skin.
-3-hydroxyphenylacetylene should be stored in a dry, cool and well-ventilated place, away from fire and oxidizing agents.
-Follow environmental and safety regulations when handling and disposing of waste.
1. nature:
-Appearance: 3-hydroxyphenylacetylene is a colorless to pale yellow solid.
-Solubility: It can be dissolved in many organic solvents (such as ethanol, ether and chloroform).
-Melting point: Its melting point is about 51-54 degrees Celsius.
-Reactivity: 3-hydroxyphenylacetylene can undergo acid-base neutralization reaction under acidic conditions to generate the corresponding salt.
2. use:
-Research and experiment: It can be used as a reagent and intermediate in organic synthesis, such as for the synthesis of other organic compounds.
-Drugs: 3-hydroxyphenylacetylene has some biological activities and can be used as raw materials for drug research.
-Preservative: Due to its antioxidant properties and inhibition of microbial growth, it can be used in certain preservatives.
3. Preparation method:
A common preparation method is to obtain 3-hydroxyphenylacetylene by reacting phenol and bromoethane under alkaline conditions. Specific steps are as follows:
a. The phenol is reacted with an alkaline solution (such as sodium hydroxide) to generate a phenol anion.
B. Bromoethane is added to the reaction system to undergo a nucleophilic substitution reaction with phenol anions to obtain 3-hydroxyphenylacetylene.
4. Safety Information:
-3-hydroxyphenylacetylene has a certain irritation, so pay attention to protective measures when contacting, such as wearing gloves and goggles.
-During the operation, avoid inhaling its dust or solution and avoid contact with the skin.
-3-hydroxyphenylacetylene should be stored in a dry, cool and well-ventilated place, away from fire and oxidizing agents.
-Follow environmental and safety regulations when handling and disposing of waste.
Last Update：2024-04-09 21:04:16
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