Dihydrochalcone

HCID 64802CAS 1083-30-3
Substructure searchFind similar structures

Basic information

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

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
SpringerMaterials PropertiesDensity
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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Additional notes

DefinitionChEBI: 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.

Related reactions

16 records
New reaction record

Linked notes

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