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Basic information
- CAS
120-58-1- Standard SMILES
C/C=C/c1ccc2c(c1)OCO2- InChIKey
VHVOLFRBFDOUSH-NSCUHMNNSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.188 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- trans-Isosafrole
- IUPAC
- 5-[(1E)-Prop-1-en-1-yl]-2H-1,3-benzodioxole
- English name
- 5-[(E)-prop-1-enyl]benzo[1,3]dioxole
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
(E)-ISOSAFROLETRANS-ISOSAFROLE5-[(E)-1-Propenyl]-1,3-benzodioxole5-[(E)-prop-1-enyl]benzo[1,3]dioxole(E)-1-(1,3-Benzodioxole-5-yl)-1-propene1,3-Benzodioxole, 5-(1E)-1-propen-1-yl-(E)-5-(prop-1-en-1-yl)benzo[d][1,3]dioxole(E)-1-[3,4-(Methylenebisoxy)phenyl]propene
Database identifiers
- CAS
120-58-1、4043-71-4- PubChem CID
- 637796
- DTXSID
DTXSID201316597- ChEMBL
CHEMBL487603- ChEBI
CHEBI:6054- UNII
- 94BY31ALL6
- EC Number
- 204-410-2
- Nikkaji
- J5.328G、J8.673H
Properties
Physicochemical properties
- Melting point
- 6.8 °C · 6.8°C
- Boiling point
- 253 °C · 253°C (estimate)
- Density
- 1.1224 · 1.1224
- refractive index
- 1.5782 · 1.5782 (estimate)
- FDA UNII
- 94 BY31ALL6 · 94BY31ALL6
Chemistry & industry
Suppliers2 total
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
BOC Sciences[email protected]
Additional notes
DefinitionChEBI: Isosafrole is a member of benzodioxoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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