Safrole
Properties
- Molecular formula
- C10H10O2
- Molar mass
- 162.19 g/mol
- Exact mass
- 162.0681 Da
- Density
- 1.096 g/mL (at 20 °C)
- Melting point
- 11.2 °C
- Boiling point
- 234.5 °C
- logP
- 2.14Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
94-59-7SMILES
C=CCc1ccc2c(c1)OCO2InChIKey
ZMQAAUBTXCXRIC-UHFFFAOYSA-NInChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- 1,3-Benzodioxole, 5-(2-propen-1-yl)-
- Benzene, 4-allyl-1,2-(methylenedioxy)-
- 1,3-Benzodioxole, 5-(2-propenyl)-
- 5-(2-Propen-1-yl)-1,3-benzodioxole
- Allylcatechol methylene ether
- Allyldioxybenzene methylene ether
- 1-Allyl-3,4-methylenedioxybenzene
- m-Allylpyrocatechin methylene ether
- Allylpyrocatechol methylene ether
- 3,4-Methylenedioxy-allylbenzene
- Safrol
- Safrole MF
- Shikimole
- Shikomol
- 5-Allyl-1,3-benzodioxole
- Rhyuno oil
- 4-Allyl-1,2-(methylenedioxy)benzene
- 3-(3,4-Methylenedioxyphenyl)prop-1-ene
- NSC 11831
- 5-(2-Propenyl)-1,3-benzodioxole
- Alda 89
- 5-Allylbenzo[d][1,3]dioxole
Work with Safrole
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
Methyl eugenol93-15-261 % similar
Myristicin607-91-054 % similar
Piperonyl chloride20850-43-553 % similar
1,3-Benzodioxole-5-methanamine2620-50-053 % similar
Piperonyl alcohol495-76-153 % similar
1,3-Benzodioxole-5-ethanamine1484-85-150 % similar
1,3-Benzodioxole-5-acetonitrile4439-02-549 % similar
Hydroxychavicol1126-61-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds