3-[(2,3-Dimethylphenoxy)methyl]-4-methoxybenzaldehyde
Basic information
- CAS
438530-90-6- Standard SMILES
COc1ccc(C=O)cc1COc1cccc(C)c1C- InChIKey
CALSRGSBJONIAK-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 3-[(2,3-Dimethylphenoxy)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-[(2,3-dimethylphenoxy)methyl]-4-methoxybenzaldehyde
- English name
- 3-(2,3-Dimethyl-phenoxymethyl)-4-methoxy-benzaldehyde
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32
Names & synonyms
438530-90-63-[(2,3-Dimethylphenoxy)methyl]-4-methoxybenzaldehyde3-(2,3-Dimethyl-phenoxymethyl)-4-methoxy-benzaldehyde3-((2,3-Dimethylphenoxy)methyl)-4-methoxybenzaldehyde3-(2,3-dimethylphenoxymethyl)-4-methoxybenzaldehyde3-[(2,3-dimethylphenoxy)methyl]-4-methoxy-benzaldehydeCALSRGSBJONIAK-UHFFFAOYSA-NMFCD02055706Oprea1_395687Oprea1_515800DTXSID00343606NSA53090
Show more names
AKOS B000377TIMTEC-BB SBB009165ART-CHEM-BB B000377Benzaldehyde, 3-[(2,3-dimethylphenoxy)methyl]-4-methoxy-
SBB009165STK346893AKOS000304058ST078322CS-0240301EN300-227635AG-690/15433676F014215
Database identifiers
- CAS
438530-90-6- PubChem CID
- 590876
- DTXSID
DTXSID00343606
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 425 · 425.0±45.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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 statements
- H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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