Basic information
- CAS
73987-12-9- Standard SMILES
CC1COC(C(C)Cc2ccc(C(C)C)cc2)O1- InChIKey
NZDDMOIJDSXEJC-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- Cyclamen aldehyde propyleneglycol acetal
- IUPAC
- 4-methyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxolane
- English name
- CYCLAMENALDEHYDEPROPYLENEGLYCOLACETAL
- Molecular formula
- C16H24O2
- Molecular weight
- 248.364
Names & synonyms
73987-12-9Cyclamen aldehyde propyleneglycol acetalalpha-Methyl-p-isopropylhydrocinnamic aldehyde propyleneglycol acetalDTXSID309952531,3-DIOXOLANE, 2-(p-ISOPROPYL-alpha-METHYLPHENETHYL)-4-METHYL-cyclamen aldehyde propylene glycol acetal4-methyl-2-{1-[4-(propan-2-yl)phenyl]propan-2-yl}-1,3-dioxolaneCYCLAMENALDEHYDEPROPYLENEGLYCOLACETAL
Database identifiers
- CAS
73987-12-9- PubChem CID
- 52847
- DTXSID
DTXSID30995253
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- color
- A colourless liquid.
- LogP
- 4.28 · 4.280 (est)
- Toxicity
- 50 value · Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
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
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
Chemistry & industry
Applications
OccurrenceHas apparently not been reported to occur in nature
Preparation methods
PreparationBy reacting cyclamen aldehyde with propylene glycol in the presence of a catalyst and with azeotropic removal of water.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…