1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
Basic information
- CAS
54549-72-3- Standard SMILES
CC(=O)c1ccc(C(C)(C)O)cc1- InChIKey
KWWWFTBWCKTBQI-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
- IUPAC
- 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
- English name
- 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
1-[4-(2-hydroxypropan-2-yl)phenyl]ethan-1-one1-(4-(2-hydroxypropan-2-yl)phenyl)ethan-1-oneRefChem:424293826-626-154549-72-31-(4-(2-hydroxypropan-2-yl)phenyl)ethanoneEthanone, 1-[4-(1-hydroxy-1-methylethyl)phenyl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone1-(4-(2-hydroxypropan-2-yl)phenyl) ethanoneMFCD18971205Fenofibrate Impurity 311-[4-(1-Hydroxy-1-methylethyl)phenyl]ethanone
Show more names
4'-(2'-Hydroxy-2'-propyl)acetophenone1-[4-(2-hydroxypropan-2-yl)phenyl]ethenone, 95%1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one - [H70060]
4'-(1-Hydroxy-1-methylethyl)acetophenoneEthanone, 1-(4-(1-hydroxy-1-methylethyl)phenyl)-SCHEMBL548546CHEMBL4543820DTXSID1021611ECA549724'-(2-hydroxyisopropyl)acetophenoneAKOS025438113
Database identifiers
- CAS
54549-72-3- PubChem CID
- 41122
- DTXSID
DTXSID1021611- ChEMBL
CHEMBL4543820- EC Number
- 826-626-1
- Nikkaji
- J30.898F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 85 · 85 - 86°C
- Boiling point
- 125 °C · 125 °C(Press: 2 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.07 · 14.07±0.29(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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