Basic information
- CAS
552-58-9- Standard SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21- InChIKey
SBHXYTNGIZCORC-ZDUSSCGKSA-N- Molecular formula
- C15H12O6
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.0633881
Names & identifiers
- Preferred name
- (+)-Eriodictyol
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
- English name
- ERIODICTYOL
- Molecular formula
- C15H12O6
- Molecular weight
- 288.25
Names & synonyms
Show more names
Database identifiers
- CAS
552-58-9- PubChem CID
- 440735
- DTXSID
DTXSID70877706- ChEMBL
CHEMBL8996- ChEBI
CHEBI:28412- UNII
- Q520486B8Y
- EC Number
- 209-016-4
- Nikkaji
- J139.243C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Collision Cross Section
182.17 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];170.48 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
181 Ų [M+Na]+;169.4 Ų [M+H]+
Physicochemical properties
- Melting point
- 270 °C · 270°C
- Boiling point
- 625.2 · 625.2±55.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
- FEMA
- 4715 · 4715 | 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-CHROMANON
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Very Slightly)
- form
- Solid
- pka
- 7.49 · 7.49±0.40(Predicted)
- color
- White to Pale Beige
- Water Solubility
- 70 mg/L · 70mg/L(20 ºC)
- JECFA Number
- 2172 · 2172
- BRN
- 5104930 · 5104930
- Stability
- Hygroscopic
- InChI
- 1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
- InChIKey
- SBHXYTNGIZCORC-ZDUSSCGKSA-N
- SMILES
- Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3
- CAS DataBase Reference
- 552 · 552-58-9(CAS DataBase Reference)
- FDA UNII
- 520486 B8Y · Q520486B8Y
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29329990 · 29329990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Applications
UsesEriodictyol is used in biological studies as natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation. Eriodictyl is extracted from Yerba santa, an herb. The leaf is used to make medicine.Yerba santa is used for respiratory conditions including coughs, colds, tuberculosis, asthma, and chronic bronchitis. It is also used for fever and dry mouth. Some people use it to relieve muscle spasms, to loosen phlegm, and as a tonic.
Suppliers100 total
Additional notes
DefinitionChEBI: A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.
Related reactions
Compound notes
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