Basic information
- CAS
57918-84-0- Standard SMILES
Cc1ccccc1CC(C)C=O- InChIKey
PFTIYHYMOUKOHA-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 2-Methyl-3-(o-tolyl)propanal
- IUPAC
- 2-methyl-3-(2-methylphenyl)propanal
- English name
- 2-methyl-3-(o-tolyl)propionaldehyde
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
2-Methyl-3-(o-tolyl)propanal57918-84-02-Methyl-3-(o-tolyl)propionaldehydeEINECS 261-016-372S4719NJSBenzenepropanal, .alpha.,2-dimethyl-Benzenepropanal, alpha,2-dimethyl-FEMA NO. 2748, O-RefChem:475334(+-)-2-METHYL-3-(O-TOLYL)PROPANAL2-METHYL-3-(O-TOLYL)PROPANAL, (+-)-261-016-3
Show more names
Benzenepropanal, α,2-dimethyl-α,2-Dimethylbenzene-1-propanal
2-methyl-3-(2-methylphenyl)propanalUNII-72S4719NJSSCHEMBL7933543PFTIYHYMOUKOHA-UHFFFAOYSA-NAKOS013991064DB-303480NS00053142(+/-)-2-Methyl-3-(2-methylphenyl)propanal
Database identifiers
- CAS
57918-84-0- PubChem CID
- 93844
- UNII
- 72S4719NJS
- EC Number
- 261-016-3
- Nikkaji
- J296.825H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 239.7 · 239.7±9.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- FDA UNII
- 72 S4719NJS · 72S4719NJS
Safety & regulation
Hazard information
Regulatory InformationChemical: Benzenepropanal, .alpha.,2-dimethyl-
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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