2-Hydroxychalcone
Basic information
- CAS
42224-53-3- Standard SMILES
O=C(/C=C/c1ccccc1O)c1ccccc1- InChIKey
UDOOPSJCRMKSGL-ZHACJKMWSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- 2-Hydroxychalcone
- IUPAC
- (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
- English name
- 2-Hydroxychalcone
- Molecular formula
- C15H12O2
- Molecular weight
- 224.26
Names & synonyms
2-Hydroxychalcone644-78-042224-53-3(E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-2-Hydroxybenzylidene acetophenoneEINECS 211-422-1NSC 640539AI3-00855RefChem:87504211-422-1624-468-6
Show more names
HYDROXYCHALCONE, 2-SALICYLALACETOPHENONETRANS-2-HYDROXYCHALCONE(E)-Salicylalacetophenonetrans-2-Hydroxychalcone,98%BENZYLIDENE-2-HYDROXYACETOPHENONE(E)-2-(2-Hydroxybenzal)acetophenone
3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one(E)-2-Hydroxychalcone(2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-oneMFCD000164492-(2-Hydroxybenzal)acetophenoneMLS0026080383-(2-hydroxyphenyl)-1-phenyl-2-propen-1-oneHMS3078L22
Database identifiers
- CAS
42224-53-3、644-78-0- PubChem CID
- 5367146
- DTXSID
DTXSID001316272- ChEMBL
CHEMBL147067- EC Number
- 211-422-1、624-468-6
- Nikkaji
- J1.212.803G、J400.833B、J95.421G
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 277
Physicochemical properties
- Melting point
- 144 · 144-150 °C(lit.)
- Boiling point
- 396.3 · 396.3±34.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 9.26 · 9.26±0.35(Predicted)
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- CAS DataBase Reference
- 42224 · 42224-53-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2914.50.5000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-Hydroxychalcone has known human metabolites that include 2-Hydroxychalcone, 2-OH glucuronide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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