3-Allyl-4-ethoxy-5-methoxy-benzaldehyde
Basic information
- CAS
872183-27-2- Standard SMILES
C=CCc1cc(C=O)cc(OC)c1OCC- InChIKey
KQKITKAUHIZELC-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 3-Allyl-4-ethoxy-5-methoxy-benzaldehyde
- IUPAC
- 4-ethoxy-3-methoxy-5-prop-2-enylbenzaldehyde
- English name
- 3-Allyl-4-ethoxy-5-methoxy-benzaldehyde
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
872183-27-23-ALLYL-4-ETHOXY-5-METHOXYBENZALDEHYDE3-Allyl-4-ethoxy-5-methoxy-benzaldehyde4-ethoxy-3-methoxy-5-prop-2-enylbenzaldehydeMFCD026295614-ethoxy-3-methoxy-5-(prop-2-en-1-yl)benzaldehydeDTXSID90389770AKOS000290633BS-36110CS-0359714ST50267834F057629
Show more names
CHEMBRDG-BB 6548696ASINEX-REAG BAS 02892533Benzaldehyde, 4-ethoxy-3-methoxy-5-(2-propen-1-yl)-3-allyl-4-ethoxy-5-methoxybenzaldehyde(SALTDATA: FREE)
Database identifiers
- CAS
872183-27-2- PubChem CID
- 3144091
- DTXSID
DTXSID90389770
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 330.1 · 330.1±42.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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