2-Phenylethyl formate

C9H10O2CAS 104-62-1150.18 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
1.056–1.065 g/mL
Boiling point
86–90 °C (at 14 Torr)
logP
1.40Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 1,601 ECHA notifiers. Aggregated from 1,601 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
104-62-1
SMILES
O=COCCc1ccccc1
InChIKey
IKDIJXDZEYHZSD-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

Weigh it out

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

Names and synonyms

9 names
  • Formic acid, 2-phenylethyl ester
  • Phenethyl alcohol, formate
  • Formic acid, phenethyl ester
  • Benzylcarbinyl formate
  • Phenethyl formate
  • β-Phenylethyl formate
  • 2-Phenethyl formate
  • β-Phenethyl formate
  • NSC 404456

Work with 2-Phenylethyl formate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl formate104-57-465 % similar Glycol diformate629-15-248 % similar Cinnamyl formate104-65-447 % similar Hydrocinnamaldehyde104-53-046 % similar (2-Methoxyethyl)benzene3558-60-946 % similar Bibenzyl103-29-743 % similar Phenylacetaldehyde122-78-143 % similar Phenyl formate1864-94-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1 3'-Hydroxypropiophenone13103-80-5

Elsewhere

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