CAS 6665-83-4 6-Hydroxyflavone (HCID 72279)

Names & identifiers

Preferred name: 6-Hydroxyflavone
IUPAC: 6-hydroxy-2-phenylchromen-4-one
English name: 6-Hydroxyflavone
Molecular formula: C15H10O3
Molecular weight: 238.24

Names & synonyms

6-Hydroxyflavone6665-83-46-hydroxy-2-phenylchromen-4-one6-Hydroxy-2-phenyl-4-benzopyroneNSC-26744148S6Z78H6DTXSID8022327RefChem:543430DTXCID202327229-704-86-Hydroxy-2-phenyl-4H-chromen-4-one6-Monohydroxyflavone

Show more names

6-HF6-hydroxyoneHYDROXYFLAVONE, 6-TIMTEC-BB SBB0007666-Hydroxyflavone>6-Hydroxyflavone 98%6-Hydroxyflavone,98%6-Hydroxyflavone,97%

6-Hydroxy-2-phenyl-chromen-4-oneMLS0007380654H-1-Benzopyran-4-one, 6-hydroxy-2-phenyl-MFCD00017329CHEMBL138649NSC26744EINECS 229-704-8NSC 26744

Database identifiers

CAS: 6665-83-4
PubChem CID: 72279
DTXSID: DTXSID8022327
ChEMBL: CHEMBL138649
ChEBI: CHEBI:34472
UNII: 148S6Z78H6
EC Number: 229-704-8
Nikkaji: J298.052E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 355

Physicochemical properties

Melting point: 234 · 234-236 °C (lit.)
Boiling point: 320.83 °C · 320.83°C (rough estimate)
Density: 1.2653 · 1.2653 (rough estimate)
refractive index: 1.574 · 1.5740 (estimate)
pka: 8.98 · 8.98±0.40(Predicted)
form: powder to crystal
color: Light yellow to Yellow to Green
BRN: 15827 · 15827
InChI: 1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
SMILES: Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3
LogP: 4.445 · 4.445 (est)
CAS DataBase Reference: 6665 · 6665-83-4(CAS DataBase Reference)
FDA UNII: 148 S6Z78H6 · 148S6Z78H6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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
Hazard Note: Irritant
HS Code: 2932.99 · 2932.99.7000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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 43 reports by companies from 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2932.99.7000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Pharmacology

Metabolism/Metabolites6-Hydroxyflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-oxo-2-phenylchromen-6-yl)oxyoxane-2-carboxylic acid.