Acetanisole

C9H10O2CAS 100-06-1150.18 g/mol

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OO
EtherKetone

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
1.0818 g/mL (at 41 °C)
Melting point
38.5 °C
Boiling point
258 °C
Flash point
138 °C (open cup)
logP
1.90Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,856 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
100-06-1
SMILES
COc1ccc(C(C)=O)cc1
InChIKey
NTPLXRHDUXRPNE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

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Names and synonyms

25 names · show all
  • Ethanone, 1-(4-methoxyphenyl)-
  • Acetophenone, 4′-methoxy-
  • 1-(4-Methoxyphenyl)ethanone
  • p-Acetylanisole
  • Linarodin
  • Novatone
  • Vananote
  • 4′-Methoxyacetophenone
  • p-Methoxyphenyl methyl ketone
  • p-Methoxyacetophenone
  • 4-Methoxyphenyl methyl ketone
  • 4-Acetylanisole
  • Methyl p-methoxyphenyl ketone
  • 1-Acetyl-4-methoxybenzene
  • p-Anisyl methyl ketone
  • para-Methoxyacetophenone
  • Methyl 4-methoxyphenyl ketone
  • Acetoanisole
  • p-Methoxy(acetyl)benzene
  • NSC 209523
  • NSC 5601
  • 4-Methoxyhypnone
  • 1-(4-Methoxyphenyl)ethan-1-one
  • 4-Methoxyphenylethanone
  • 4'-Methoxyacetophenone

Work with Acetanisole

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

4-Acetyl-4'-methoxydiphenyl ether54916-28-888 % similar 4-Acetylphenyl ether2615-11-469 % similar 2-Acetyl-6-methoxynaphthalene3900-45-668 % similar 1,4-Diacetylbenzene1009-61-665 % similar 1-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-464 % similar 4,4′-Dimethoxybenzil1226-42-263 % similar 4,4′-Dimethoxybenzophenone90-96-063 % similar 3-Methoxyacetophenone586-37-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3'-Hydroxypropiophenone13103-80-5

Elsewhere

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