1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
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Basic information
- CAS
69673-85-4- Standard SMILES
CC(C)c1ccc(C(=O)C(C)(C)O)cc1- InChIKey
QPXVRLXJHPTCPW-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067982
Names & identifiers
- Preferred name
- 1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
- IUPAC
- 2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
- English name
- 1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-EINECS 274-073-4DTXSID20719901-(4'-Isopropylphenyl)-2-hydroxy-2-methylpropanone1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-RefChem:436324DTXCID204654369673-85-42-Hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE2-hydroxy-2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one
Show more names
α-Methyl-α-hydroxy-4'-isopropylpropiophenoneα-Hydroxy-4'-isopropyl-α-methylpropiophenone1-(4-Isopropylpheny)-2-hydroxy-2-methyl-1-propanone1-(4-Isopropylphenyl)-2-hydroxy-2-methylpropane-1-one2-Hydroxy-2-methyl-1-(4-(1-methylethyl)-phenyl)-1-propanone
2-Hydroxy-4'-isopropyl-2-methylpropiophenoneSCHEMBL54909UCA67385DA-20045NS00022703EN300-200266p-isopropyl-2-hydroxy-2,2-dimethylacetophenone1-(4-isopropylphenyl)-2-hydroxy-2-methylpropan-1-one
Database identifiers
- CAS
69673-85-4- PubChem CID
- 112291
- DTXSID
DTXSID2071990- EC Number
- 274-073-4
- Nikkaji
- J30.896J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 323.1 · 323.1±17.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.29(Predicted)
- InChI
- InChI=1S/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3
- InChIKey
- QPXVRLXJHPTCPW-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(C)C)C=C1)(=O)C(O)(C)C
- EPA Substance Registry System
- 1 · 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- (69673-85-4)
- 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.
Hazard information
Regulatory InformationChemical: 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-: ACTIVE
Related reactions
5 records
Compound notes
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