Ethyl phenylpropiolate

C11H10O2CAS 2216-94-6174.20 g/mol

Open in Covalent MOL file
OO
AlkyneEster

Properties

Molecular formula
C11H10O2
Molar mass
174.20 g/mol
Exact mass
174.0681 Da
Density
1.055 g/mL (at 25 °C)
Melting point
149–150 °C
Boiling point
265 °C
Flash point
112.8 °C
Water solubility
< 1 g/L (23.9 °C)
logP
1.60Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2216-94-6
SMILES
CCOC(=O)C#Cc1ccccc1
InChIKey
ACJOYTKWHPEIHW-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 2-Propynoic acid, 3-phenyl-, ethyl ester
  • Propiolic acid, phenyl-, ethyl ester
  • Ethyl 3-phenylpropiolate
  • Ethyl phenylacetylenecarboxylate
  • Ethyl 3-phenylpropynoate
  • Ethyl phenylpropynoate
  • EPP
  • Ethyl 3-phenyl-2-propynoate
  • Ethyl 2-phenylacetylenecarboxylate
  • 3-Phenyl-2-propynoic acid ethyl ester
  • Ethyl 3-phenylpropargylate
  • NSC 41566
  • 3-Phenylpropynic acid ethyl ester

Work with Ethyl phenylpropiolate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylpropynoic acid methyl ester4891-38-762 % similar Diethyl acetylenedicarboxylate762-21-057 % similar Ethyl 2-butynoate4341-76-850 % similar 4-Phenyl-3-butyn-2-one1817-57-849 % similar Ethyl 2-pentynoate55314-57-349 % similar Ethyl benzoate93-89-047 % similar Ethyl cyanoformate623-49-447 % similar Ethyl phenylacetate101-97-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethyl-4H-chromen-4-one14736-30-2 5-Phenyl-2,4-pentadienoic acid1552-94-9 Propylidenephthalide17369-59-4 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one196597-78-1 Vinyl trans-cinnamate3098-92-8 6-Methoxy-2-naphthol5111-66-0 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-4 4-Methoxy-1-naphthol84-85-5

Elsewhere

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