Basic information
- CAS
56949-68-9- Standard SMILES
CC(O)COc1ccc(C(C)(C)c2ccccc2)cc1- InChIKey
MCHVBEGSRJAJJJ-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 1-(p-(alpha,alpha-Dimethylbenzyl)phenoxy)propan-2-ol
- IUPAC
- 1-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
- English name
- 1-[p-(alpha,alpha-dimethylbenzyl)phenoxy]propan-2-ol
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
56949-68-9EINECS 260-461-01-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol1-(p-(alpha,alpha-Dimethylbenzyl)phenoxy)propan-2-olSCHEMBL11330136DTXSID70972402NS000544061-[4-(1-Methyl-1-phenylethyl)phenoxy]-2-propanol2-Propanol, 1-[4-(1-methyl-1-phenylethyl)phenoxy]-1-[p-(alpha,alpha-dimethylbenzyl)phenoxy]propan-2-ol
Database identifiers
- CAS
56949-68-9- PubChem CID
- 92585
- DTXSID
DTXSID70972402- EC Number
- 260-461-0
- Nikkaji
- J267.146H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 170 · 170-175 °C(Press: 0.8 Torr)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…