1-Phenylethyl acetate
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.0715 g/mL (at 25 °C)
- Boiling point
- 222 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
93-92-5SMILES
CC(=O)OC(C)c1ccccc1InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- Benzenemethanol, α-methyl-, 1-acetate
- Benzyl alcohol, α-methyl-, acetate
- Benzenemethanol, α-methyl-, acetate
- Gardeniol II
- Gardenol
- α-Methylbenzyl acetate
- α-Methylbenzyl alcohol, acetate
- Methyl phenyl carbinyl acetate
- sec-Phenylethyl acetate
- α-Phenylethyl acetate
- Methylphenylcarbinol acetate
- sec-Phenethyl acetate
- Styrallyl acetate
- Styrylallyl acetate
- α-Phenethyl acetate
- 1-Acetoxy-1-phenylethane
- (±)-α-Phenethyl acetate
- Dl-1-Phenylethyl acetate
- (±)-Styrallyl acetate
- α-Methylbenzenemethanol acetate
- (±)-α-Methylbenzyl acetate
- NSC 2397
Work with 1-Phenylethyl acetate
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
Phenylmethanediol diacetate581-55-567 % similar
1-Phenylethyl propionate120-45-657 % similar
O-Acetylmandeloyl chloride1638-63-756 % similar
(-)-O-Acetylmandelic acid51019-43-356 % similar
O-Acetylmandelic acid5438-68-656 % similar
Rosephenone90-17-556 % similar
1-Phenyl-2-propanol acetate2114-33-253 % similar
Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds