1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
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Basic information
- CAS
4720-82-5- Standard SMILES
O=C(c1ccc2c(c1)OCO2)C(O)c1ccc2c(c1)OCO2- InChIKey
BNSRFLSWNIACBZ-UHFFFAOYSA-N- Molecular formula
- C16H12O6
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.0633881
Names & identifiers
- Preferred name
- 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
- IUPAC
- 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
- English name
- PIPEROIN
- Molecular formula
- C16H12O6
- Molecular weight
- 300.26
Names & synonyms
1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanoneDTXSID0012435085-(2-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXY)ACETYL)-1,3-BENZODIOXOLERefChem:411327DTXCID301674380664-102-2Piperoin4720-82-5Piperonyloin1,2-Bis(benzo[d][1,3]dioxol-5-yl)-2-hydroxyethanoneEthanone,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-BRN 0327019
Show more names
Piperoin>PiperonyloinPiperoin, Pract.TIMTEC-BB SBB0080833,4:3',4'-BIS(METHYLENEDIOXY)BENZOIN1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-ethanon
AI3-03738NSC39453Ethanone, 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-(2S)-1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxyethanoneSCHEMBL676455-19-12-00046 (Beilstein Handbook Reference)Bis(3,4-methylenedioxy)benzoin1,2-bis(2H-1,3-benzodioxol-5-yl)-2-hydroxyethan-1-one
Database identifiers
- CAS
4720-82-5- PubChem CID
- 97786
- DTXSID
DTXSID001243508- EC Number
- 664-102-2
- Nikkaji
- J208.917C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 121 °C · 121°C
- Boiling point
- 517.1 · 517.1±50.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H400-H372
- Precautionary statements
- 264 · P264-P270-P273-P301+P312+P330-P391-P501
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 22-24/25
- Hazard statements
- H302-H400-H372
- Precautionary statements
- P264-P270-P273-P301+P312+P330-P391-P501
Related reactions
11 records
Compound notes
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