chempirical

4-Methylphenyl acetate

C9H10O2CAS 140-39-6150.18 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
48.5 °C
Boiling point
212.5 °C
logP
1.92Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
140-39-6
SMILES
CC(=O)Oc1ccc(C)cc1
InChIKey
CDJJKTLOZJAGIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Acetic acid, 4-methylphenyl ester
  • Acetic acid, p-tolyl ester
  • p-Cresol acetate
  • Narceol
  • p-Tolyl acetate
  • p-Tolyl ethanoate
  • p-Methylphenyl acetate
  • p-Acetoxytoluene
  • 4-Acetoxytoluene
  • 4-Tolyl acetate
  • NSC 43244
  • NSC 65594

Work with 4-Methylphenyl 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

Phenyl acetate122-79-263 % similar p-Aminophenyl acetate13871-68-662 % similar 4-Fluorophenyl acetate405-51-662 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-160 % similar p-Phenylphenyl acetate148-86-760 % similar Bisphenol A diacetate10192-62-858 % similar 4-Ethylphenyl acetate3245-23-658 % similar 4-(Acetyloxy)benzaldehyde878-00-258 % 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 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook