Basic information
- CAS
30830-55-8- Standard SMILES
O=CCCc1ccc2c(c1)OCO2- InChIKey
IDCKZBGINKOTOL-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-propanal
- IUPAC
- 3-(1,3-benzodioxol-5-yl)propanal
- English name
- 3-Benzo[1,3]dioxol-5-yl-propionaldehyde
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
1,3-Benzodioxole-5-propanal30830-55-8EINECS 250-351-0DTXSID8067577RefChem:72478DTXCID90382663-(1,3-benzodioxol-5-yl)propanal3-(1,3-dioxaindan-5-yl)propanal3-(1,3-Benzodioxole-5-yl)propanal3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANAL3,4-methylenedioxyphenyl-1-propanal3-(2H-1,3-BENZODIOXOL-5-YL)PROPANAL
Show more names
3-Benzo[1,3]dioxol-5-yl-propionaldehyde3-(3,4-Methylenedioxyphenyl)propane-1-al3-[3,4-(Methylenebisoxy)phenyl]propionaldehyde
1,3-Benzodioxole-5-propionaldehydePiperonyl-azetaldehyd3-(3,4-METHYLENEDIOXYPHENYL)PROPIONALDEHYDESCHEMBL869843SCHEMBL11053658SCHEMBL27523332CHEBI:167435AKOS006230725
Database identifiers
- CAS
30830-55-8- PubChem CID
- 169203
- DTXSID
DTXSID8067577- ChEBI
CHEBI:167435- EC Number
- 250-351-0
- Nikkaji
- J287.400H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Kovats Retention Index1522.9
Physicochemical properties
- Boiling point
- 104 · 104-106 °C(Press: 0.25 Torr)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole-5-propanal (30830-55-8)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,3-Benzodioxole-5-propanal
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Regulatory information
Regulatory InformationChemical: 1,3-Benzodioxole-5-propanal
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzodioxole-5-propanal: INACTIVE
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Syntechem Co.,Ltd[email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.+86-13601750004 · [email protected]
Additional notes
DefinitionChEBI: 3,4-Methylenedioxyphenyl-1-propanal is a member of benzodioxoles.
Related reactions
6 records
Compound notes
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