4-Methylphenyl acetate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.044–1.052 g/mL
- 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
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 1,855 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
140-39-6SMILES
CC(=O)Oc1ccc(C)cc1InChIKey
CDJJKTLOZJAGIZ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
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
Hydroquinone diacetate1205-91-078 % similar
4,4'-Diacetoxybiphenyl32604-29-869 % similar
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
2,6-Naphthalenediol diacetate22426-47-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.