2-Hydroxy-1,2-diphenyl-1-propanone
Basic information
- CAS
5623-26-7- Standard SMILES
CC(O)(C(=O)c1ccccc1)c1ccccc1- InChIKey
DIVXVZXROTWKIH-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 2-Hydroxy-1,2-diphenyl-1-propanone
- IUPAC
- 2-hydroxy-1,2-diphenylpropan-1-one
- English name
- alpha-Hydroxy-alpha-methylbenzyl phenyl ketone
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
2-hydroxy-1,2-diphenylpropan-1-one2-hydroxy-1,2-diphenyl-1-propanoneDTXSID20322650RefChem:472998DTXCID70273769898-259-55623-26-7alpha-MethylbenzoinMLS0031715082-hydroxy-1,2-diphenyl-propan-1-oneALPHA-HYDROXY-ALPHA-METHYLBENZYL PHENYL KETONEa-methylbenzoin
Show more names
à-methylbenzoin1-Propanone, 2-hydroxy-1,2-diphenyl-à-hydroxy-à-methylbenzyl phenyl ketoneα-Hydroxy-α-methylbenzyl phenyl ketoneα-Hydroxy-α-methylbenzyl phenyl ketone
RARECHEM AQ A2 0041alpha-methyl-benzoinNSC401759SCHEMBL58021CHEMBL2137932SCHEMBL18839943LABOTEST-BB LT00848218MFCD00051804
Database identifiers
- CAS
5623-26-7- PubChem CID
- 344693
- DTXSID
DTXSID20322650- ChEMBL
CHEMBL2137932- EC Number
- 898-259-5
- Nikkaji
- J1.348.442B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
LogP2.92
Physicochemical properties
- Melting point
- 66 · 66-67°C
- Boiling point
- 120 · 120-130 °C(Press: 12 Torr)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 12.35 · 12.35±0.29(Predicted)
- BRN
- 2049961 · 2049961
- Safety Statements
- 22 · 22-24/25
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, P273, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- safety_code
- 22-24/25
Related reactions
2 records
Compound notes
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