Basic information
- CAS
96643-95-7- Standard SMILES
CCc1cc(C(=O)Cc2ccccc2)c(O)cc1O- InChIKey
TYEPLJPAMSQUDK-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 1-(5-Ethyl-2,4-dihydroxyphenyl)-2-phenylethanone
- IUPAC
- 1-(5-ethyl-2,4-dihydroxyphenyl)-2-phenylethanone
Names & synonyms
1-(5-ethyl-2,4-dihydroxyphenyl)-2-phenylethanone96643-95-7RefChem:74573652-355-1Cambridge id 6652118Oprea1_336824Oprea1_7641031-(5-ethyl-2,4-dihydroxyphenyl)-2-phenylethan-1-oneDTXSID301239023STL512542AKOS003613129AB00114292-01
Show more names
SR-01000240338SR-01000240338-1
Database identifiers
- CAS
96643-95-7- PubChem CID
- 853076
- DTXSID
DTXSID301239023- EC Number
- 652-355-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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