Dihydrochalcone
Basic information
- CAS
1083-30-3- Standard SMILES
O=C(CCc1ccccc1)c1ccccc1- InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Overview
Dihydrochalcone is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- Dihydrochalcone
- IUPAC
- 1,3-diphenylpropan-1-one
- English name
- beta-Phenylpropiophenone
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
1,3-diphenylpropan-1-oneDihydrochalcone1083-30-33-Phenylpropiophenonebeta-PhenylpropiophenoneHydrochalconeHydrocinnamophenone1,3-Diphenyl-1-oxopropane1-Propanone, 1,3-diphenyl-H5W525SX7QCHEBI:71231NSC-12245
Show more names
BENZYL ACETOPHENONEihydrochalconeβ-Phenylpropiophenone
DTXSID7061481RefChem:133754DTXCID7033109621-467-21,3-Diphenyl-1-propanoneBenzylacetophenonePhenethyl phenyl ketonePhenyl phenethyl ketone
Database identifiers
- CAS
1083-30-3- PubChem CID
- 64802
- DTXSID
DTXSID7061481- ChEMBL
CHEMBL490143、CHEMBL490512- ChEBI
CHEBI:71231- UNII
- H5W525SX7Q
- EC Number
- 621-467-2
- Nikkaji
- J254.530F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
SpringerMaterials PropertiesDensity
LogP3.77
Melting Point72 - 73 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 70 · 70-72°C
- Boiling point
- 145 · 145-150 °C(Press: 7 Torr)
- Density
- 1.0614 g/cm3 · 1.0614 g/cm3(Temp: 23 °C)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- Insoluble in water.
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
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (97.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing Information1-Propanone, 1,3-diphenyl-: INACTIVE
Applications
Uses3-Phenylpropiophenone is a potential antioxidant, found in fruit extracts, and is synthesized as a part of last stage applications to natural products and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Related reactions
16 records
Compound notes
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