| Identification | More | [Name]
3-Hydroxyphenylacetylene | [CAS]
10401-11-3 | [Synonyms]
3-ETHYNYLPHENOL
3-HYDROXYPHENYLACETYLENE
4-ETHYNYL-PHENOL
TIMTEC-BB SBB005886
3-HYDROXYPHENYLACETYLENE (3-Ethynylphenol)
Phenol, 3-ethynyl-(9CI)
M-HYDROXYPHENYLACETYLENE
3-HYDROXYPHENYLACETYLENE, 95+% | [Molecular Formula]
C8H6O | [MDL Number]
MFCD00078287 | [Molecular Weight]
118.13 | [MOL File]
10401-11-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear yellow liquid | [Melting point ]
64-66 °C | [Boiling point ]
75°C 3mm | [density ]
1.083 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5840(lit.)
| [Fp ]
218 °F
| [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
Miscible with dimethylformamide. | [form ]
Crystalline Powder | [pka]
9.30±0.10(Predicted) | [color ]
White to pale yellow | [BRN ]
2076613 | [InChI]
InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H | [InChIKey]
AODMJIOEGCBUQL-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=CC(C#C)=C1 | [CAS DataBase Reference]
10401-11-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
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 Statements ]
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 . | [RIDADR ]
2810 | [WGK Germany ]
2
| [HazardClass ]
8 | [PackingGroup ]
Ⅲ | [HS Code ]
29071990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear yellow liquid | [Uses]
3-Hydroxyphenylacetylene is used as a fluorogenic and chromogenic probe for bacterial enzymes. | [Synthesis]
The general procedure for the synthesis of 3-hydroxyphenylacetylene from (3-hydroxyphenylalkynyl)trimethylsilane was as follows: (3-hydroxyphenylalkynyl)trimethylsilane was dissolved in a mixed solvent of THF (6 mL) and MeOH (6 mL), followed by the addition of 10% aqueous KOH solution (6 mL). The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the reaction mixture was neutralized with 1N HCl solution and the solvent was subsequently removed by rotary evaporation. The aqueous phase was extracted with CH2Cl2 and the organic phase was dried with anhydrous Na2SO4. Finally, purification by column chromatography (eluent: n-hexane/acetone, 5:1, v/v) afforded 3-hydroxyphenylacetylene (162.8 mg, 70% yield), the product was a yellow oil. | [References]
[1] Patent: US2009/68242, 2009, A1. Location in patent: Page/Page column 7
[2] Organic Letters, 2014, vol. 16, # 24, p. 6302 - 6305 |
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