chempirical

Piperonyl acetate

C10H10O4CAS 326-61-4194.19 g/mol

Open in Covalent MOL file
OOOO
AcetalEsterEther

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
58 °C
Boiling point
150–151 °C (at 10 Torr)
logP
1.48Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
326-61-4
SMILES
CC(=O)OCc1ccc2c(c1)OCO2
InChIKey
PFWYHTORQZAGCA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzodioxole-5-methanol, 5-acetate
  • Piperonyl alcohol, acetate
  • 1,3-Benzodioxole-5-methanol, acetate
  • Heliotropyl acetate
  • 3,4-Methylenedioxybenzyl acetate
  • NSC 406725
  • (2H-1,3-Benzodioxol-5-yl)methyl acetate
  • 1,3-Benzodioxol-5-ylmethyl acetate

Work with Piperonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Piperonyl isobutyrate5461-08-563 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-558 % similar Dulcinyl55418-52-555 % similar p-Methylbenzyl acetate2216-45-754 % similar Benzyl acetate140-11-453 % similar Anisyl acetate104-21-251 % similar 1,3-Benzodioxole-5-acetic acid2861-28-150 % similar 5-Acetyl-1,3-benzodioxole3162-29-649 % similar

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook