ChemicalBook--->CAS DataBase List--->2216-94-6

2216-94-6

2216-94-6 Structure

2216-94-6 Structure
IdentificationMore
[Name]

ETHYL PHENYLPROPIOLATE
[CAS]

2216-94-6
[Synonyms]

ETHYL-3-PHENYLPROPIOLATE
ETHYL PHENYLACETYLENECARBOXYLATE
ETHYL PHENYLPROPIOLATE
PHENYLACETYLENECARBOXYLIC ACID ETHYL ESTER
PHENYLPROPIOLIC ACID ETHYL ESTER
RARECHEM AL BI 0668
TIMTEC-BB SBB008827
2-Propynoic acid, 3-phenyl-, ethyl ester
3-phenyl-2-propynoicaciethylester
Ethyl 3-phenyl-2-propynoate
Ethyl 3-phenylpropynoate
Ethyl phenylpropriolate
Ethyl phenylpropynoate
ethyl3-phenyl-2-propynoate
ethyl3-phenylpropynoate
ethylphenylpropynoate
Phenylacetylene monocarboxylic acid ethyl ester
phenyl-propiolicaciethylester
Propiolic acid, phenyl-, ethyl ester
Ethyl phenylacetylenecarboxylate~Phenylpropiolic acid ethyl ester
[EINECS(EC#)]

218-703-8
[Molecular Formula]

C11H10O2
[MDL Number]

MFCD00009185
[Molecular Weight]

174.2
[MOL File]

2216-94-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellowish liquid
[Melting point ]

149-150 °C
[Boiling point ]

260-270 °C(lit.)
[density ]

1.055 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.552(lit.)
[Fp ]

>110°C
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear yellow
[Specific Gravity]

1.055
[Water Solubility ]

Insoluble in water.
[BRN ]

639637
[InChI]

1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
[InChIKey]

ACJOYTKWHPEIHW-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C#Cc1ccccc1
[CAS DataBase Reference]

2216-94-6(CAS DataBase Reference)
[EPA Substance Registry System]

Ethyl phenylpropiolate (2216-94-6)
Safety DataBack Directory
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

UE0110000
[HS Code ]

29163990
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Levofloxacin-->Loxoprofen-->Tetraphenylcyclopentadienone-->3-Phenyl-2-propyn-1-ol-->7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one-->3-Hydroxy-5-phenyl-1H-pyrazole
Hazard InformationBack Directory
[General Description]

Clear pale yellow liquid.
[Reactivity Profile]

Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This compound is combustible.
[Chemical Properties]

clear yellowish liquid
[Uses]

Ethyl phenylpropiolate, is an important organic intermediate. It is also used as an intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 50, p. 2372, 1985 DOI: 10.1021/jo00213a034
Synthesis, p. 498, 1987 DOI: 10.1055/s-1987-27983
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL PHENYLPROPIOLATE(2216-94-6)MS
ETHYL PHENYLPROPIOLATE(2216-94-6)1HNMR
ETHYL PHENYLPROPIOLATE(2216-94-6)13CNMR
ETHYL PHENYLPROPIOLATE(2216-94-6)IR1
ETHYL PHENYLPROPIOLATE(2216-94-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl phenylpropiolate, 98%(2216-94-6)
[Alfa Aesar]

Ethyl phenylpropiolate, 98+%(2216-94-6)
[Sigma Aldrich]

2216-94-6(sigmaaldrich)
[TCI AMERICA]

Ethyl Phenylpropiolate,>97.0%(GC)(2216-94-6)
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