3-Ethoxy-4-[(2-methylbenzyl)oxy]benzaldehyde
Basic information
- CAS
381680-28-0- Standard SMILES
CCOc1cc(C=O)ccc1OCc1ccccc1C- InChIKey
KEMWVNNQUJCALP-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 3-Ethoxy-4-[(2-methylbenzyl)oxy]benzaldehyde
- IUPAC
- 3-ethoxy-4-[(2-methylphenyl)methoxy]benzaldehyde
- English name
- 3-Ethoxy-4-[(2-methylbenzyl)oxy]benzaldehyde
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32
Names & synonyms
3-ethoxy-4-[(2-methylbenzyl)oxy]benzaldehyde381680-28-03-ethoxy-4-[(2-methylphenyl)methoxy]benzaldehyde3-Ethoxy-4-((2-methylbenzyl)oxy)benzaldehydeMFCD02647955Oprea1_159587DTXSID70352785KEMWVNNQUJCALP-UHFFFAOYSA-NALBB-001356BBL013682SBB012887STK409064
Show more names
AKOS B014233ART-CHEM-BB B014233CHEMBRDG-BB 3014233Benzaldehyde, 3-ethoxy-4-[(2-methylphenyl)methoxy]-3-ethoxy-4-[(2-methylbenzyl)oxy]benzaldehyde(SALTDATA: FREE)
AKOS0002017413-ethoxy-4-(o-tolylmethoxy)benzaldehydeVS-039373-ethoxy-4-(2-methylbenzoxy)-benzaldehydeST4096810CS-0313002H21428F307618
Database identifiers
- CAS
381680-28-0- PubChem CID
- 735472
- DTXSID
DTXSID70352785
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 421.2 · 421.2±35.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- 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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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