Anisyl acetate

C10H12O3CAS 104-21-2180.20 g/mol

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EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Density
1.104–1.111 g/mL
Melting point
84 °C
Boiling point
270 °C
logP
1.76Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,736 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
104-21-2
SMILES
COc1ccc(COC(C)=O)cc1
InChIKey
HFNGYHHRRMSKEU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

Weigh it out

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Names and synonyms

13 names · show all
  • Benzenemethanol, 4-methoxy-, 1-acetate
  • Benzyl alcohol, p-methoxy-, acetate
  • Benzenemethanol, 4-methoxy-, acetate
  • p-Anisyl alcohol, acetate
  • Cassie ketone
  • p-Methoxybenzyl acetate
  • p-Methoxybenzyl alcohol acetate
  • 4-Methoxybenzyl acetate
  • 4-Methoxybenzenemethanol acetate
  • NSC 46102
  • 4-Anisyl acetate
  • 1-Methoxy-4-acetoxymethylbenzene
  • (4-Methoxyphenyl)methyl acetate

Work with Anisyl 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

p-Methylbenzyl acetate2216-45-764 % similar Benzyl acetate140-11-463 % similar 4-Methoxyphenylacetone122-84-954 % similar p-Nitrobenzylacetate619-90-954 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-153 % similar Piperonyl acetate326-61-451 % similar Ethyl 4-methoxyphenylacetate14062-18-149 % similar (4-Methoxyphenyl)acetic acid104-01-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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