Mls002638215
Basic information
- CAS
5423-06-3- Standard SMILES
CC1=C(c2ccccc2)C(O)(c2ccccc2)C(C)C1=O- InChIKey
VAAQGIJITBVELH-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.13067981
Names & identifiers
- Preferred name
- Mls002638215
- IUPAC
- 4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one
- English name
- 2-Cyclopenten-1-one,4-hydroxy-2,5-dimethyl-3,4-diphenyl-
- Molecular formula
- C19H18O2
- Molecular weight
- 278.35
Names & synonyms
5423-06-3MLS002638215DTXSID60279174RefChem:819044DTXCID402303294-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one4-Hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-enone4-Hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-enoneNSC 115112-Cyclopenten-1-one, 4-hydroxy-2,5-dimethyl-3,4-diphenyl-SMR0015477044-hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one
Show more names
2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE2-Cyclopenten-1-one,4-hydroxy-2,5-dimethyl-3,4-diphenyl-
NSC11511MFCD000884482,5-Dimethyl-3,4-diphenyl-4-hydroxy-2-cyclopenten-1-onecid_223673CHEMBL1903930NIOSH/GY7277500BDBM91371HMS3080D05
Database identifiers
- CAS
5423-06-3- PubChem CID
- 223673
- DTXSID
DTXSID60279174- ChEMBL
CHEMBL1903930- EC Number
- 688-713-9
- Nikkaji
- J2.667.369K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 152 · 152-153 °C(Solv: methanol (67-56-1))
- Boiling point
- 381.4 · 381.4±42.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 11.9 · 11.90±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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