2-(1,3-Dioxaindan-5-yl)acetaldehyde
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Basic information
- CAS
6543-34-6- Standard SMILES
O=CCc1ccc2c(c1)OCO2- InChIKey
RRMZTAWQQFJQHL-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Names & identifiers
- Preferred name
- 2-(1,3-Dioxaindan-5-yl)acetaldehyde
- IUPAC
- 2-(1,3-benzodioxol-5-yl)acetaldehyde
- English name
- PIPERONYL FORMALDEHYDE
- Molecular formula
- C9H8O3
- Molecular weight
- 164.16
Names & synonyms
2-(1,3-Dioxaindan-5-yl)acetaldehydeRefChem:450405896-452-96543-34-61,3-benzodioxol-5-ylacetaldehyde2-(Benzo[d][1,3]dioxol-5-yl)acetaldehyde2-(1,3-benzodioxol-5-yl)acetaldehydePIPERONYL FORMALDEHYDEMFCD11553606HomopiperonalBenzo[1,3]dioxol-5-ylacetaldehydeNSC107645
Show more names
Piperonal Impurity 21,3-Benzodioxole-5-acetaldehyde2-(Benzodioxol-5-yl)acetaldehyde3,4-(Methylenedioxy)phenylacetaldehyde
SCHEMBL406700SCHEMBL2119072SCHEMBL27549412SCHEMBL30194501DTXSID30296095RRMZTAWQQFJQHL-UHFFFAOYSA-Nbenzo[1,3]dioxol-5-yl-acetaldehyde(3,4-methylenedioxyphenyl)acetaldehyde
Database identifiers
- CAS
6543-34-6- PubChem CID
- 267889
- DTXSID
DTXSID30296095- EC Number
- 896-452-9
- Nikkaji
- J13.412K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 82 · 82-83℃
- Boiling point
- 147 ℃ · 147℃ (0.8 Torr)
- refractive index
- 1.57117 · 1.57117 (589.3 nm)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-benzodioxol-5-ylacetaldehyde was used as intermediate of berberine hydrochloride.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
7 records
Compound notes
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