Acetaldehyde, 2-(2,6-dimethylphenoxy)-
Basic information
- CAS
72102-89-7- Standard SMILES
Cc1cccc(C)c1OCC=O- InChIKey
SQGVKVASMZKZSW-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Acetaldehyde, 2-(2,6-dimethylphenoxy)-
- IUPAC
- 2-(2,6-dimethylphenoxy)acetaldehyde
- English name
- 2-(2,6-Dimethylphenoxy)acetaldehyde
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-(2,6-Dimethylphenoxy)acetaldehydeAcetaldehyde, (2,6-dimethylphenoxy)-Acetaldehyde, 2-(2,6-dimethylphenoxy)-DTXSID30888070RefChem:108787DTXCID40102735272102-89-7SCHEMBL2560578SCHEMBL5803965SCHEMBL28128245SQGVKVASMZKZSW-UHFFFAOYSA-N(2,6-Dimethylphenoxy)acetaldehyde
Show more names
AKOS011010590
Database identifiers
- CAS
72102-89-7- PubChem CID
- 3085706
- DTXSID
DTXSID30888070- Nikkaji
- J447.045A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 250.5 · 250.5±25.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Acetaldehyde, (2,6-dimethylphenoxy)- (72102-89-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2-(2,6-dimethylphenoxy)-: INACTIVE
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Compound notes
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