chempirical

p-Methylbenzyl acetate

C10H12O2CAS 2216-45-7164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
40 °C
Boiling point
227–230 °C
logP
2.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
2216-45-7
SMILES
CC(=O)OCc1ccc(C)cc1
InChIKey
WDCUPFMSLUIQBH-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenemethanol, 4-methyl-, 1-acetate
  • Benzyl alcohol, p-methyl-, acetate
  • Benzenemethanol, 4-methyl-, acetate
  • p-Tolubenzyl acetate
  • p-Xylyl acetate
  • 4-Methylbenzyl acetate
  • p-Acetoxymethyltoluene
  • NSC 7001
  • (4-Methylphenyl)methyl acetate

Work with p-Methylbenzyl 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

Benzyl acetate140-11-467 % similar Anisyl acetate104-21-264 % similar Piperonyl acetate326-61-454 % similar 4-Methylphenyl acetate140-39-653 % similar Ethyl p-tolylacetate14062-19-246 % similar 5-(Acetoxymethyl)-2-furaldehyde10551-58-345 % similar 3-Phenylpropyl acetate122-72-544 % similar p-Tolylacetic acid methyl ester23786-13-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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