CAS 487-26-3 Flavanone (HCID 10251)

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Basic information

CAS: 487-26-3
Standard SMILES: O=C1CC(c2ccccc2)Oc2ccccc21
InChIKey: ZONYXWQDUYMKFB-UHFFFAOYSA-N
Molecular formula: C15H12O2
Average molar mass: 224.25 g/mol
Monoisotopic mass: 224.08372962

Names & identifiers

Preferred name: Flavanone
IUPAC: 2-phenyl-2,3-dihydrochromen-4-one
English name: FLAVANONE
Molecular formula: C15H12O2
Molecular weight: 224.25

Names & synonyms

FLAVANONE487-26-32,3-Dihydroflavone4-Flavanone2-Phenyl-4-chromanone2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-NSC-50393WX22P730FBDTXSID90223182-phenyl-2,3-dihydrochromen-4-oneCHEBI:5070

Show more names

FlavanonFLAVONONEPropafenone EP Impurity HNSC 50393dl-FlavanoneXANTHONE(RG)Flavanone>

(+-)-flavanoneRefChem:140598DTXCID302318207-654-82-Phenylchroman-4-one2,3-Dihydro-2-phenyl-4H-benzopyran-4-oneFlavanone-d5MFCD00006841

Database identifiers

CAS: 487-26-3
PubChem CID: 10251
DTXSID: DTXSID9022318
ChEMBL: CHEMBL274318、CHEMBL300814
ChEBI: CHEBI:5070
UNII: WX22P730FB
EC Number: 207-654-8
Nikkaji: J11.632G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 281

Physicochemical properties

Melting point: 76 · 76-78 °C (lit.)
Boiling point: 305.66 °C · 305.66°C (rough estimate)
Density: 0.9 g/cm3 · 0.90 g/cm3
refractive index: 1.436 · 1.4360 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
color: White
BRN: 183227 · 183227
InChI: 1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey: ZONYXWQDUYMKFB-UHFFFAOYSA-N
SMILES: O=C1CC(Oc2ccccc12)c3ccccc3
LogP: 3.14 · 3.140
CAS DataBase Reference: 487 · 487-26-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 22 P730FB · WX22P730FB

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: LK6906500
hs_code: 29329900
risk_code: 36/37/38-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405

Chemistry & industry

Applications · 3 items

UsesFlavanone was used in HPLC coupled to electrospray ion trap mass spectrometric method for separation and detection of natural flavonoid aglycones. Silibinin, a flavanone, was used in a variety of biological functions.

UsesPropafenone (P757500) impurity.

General DescriptionFlavanone is a white to off white powder. Monitoring of flavanone content can be useful in characterizing the authenticity of lemon juice, of measuring the adulteration of citrus juices and identifying the presence of orange juice in fruit drinks. Hesperidin is the major flavanone present in the juices and wines obtained from Robinson, Fremont and Satsuma mandarins.