Acacetin supplier | CasNO.480-44-4

Name
Acacetin
EINECS 207-552-3
CAS No. 480-44-4
Article Data53
CAS DataBase
Density 1.42 g/cm³
Solubility Soluble in toluene:ethyl formiate:formic acid (5:4:1)
Melting Point 260-265 °C
Formula C₁₆H₁₂O₅
Boiling Point 518.6 °C at 760 mmHg
Molecular Weight 284.268
Flash Point 198.2 °C
Transport Information
Appearance Pale-yellow needles
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acacetin(6CI);Flavone, 5,7-dihydroxy-4'-methoxy- (7CI,8CI);2-(4-Methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;4'-Methylapigenin;4'-O-Methylapigenin;5,7-Dihydroxy-4'-methoxyflavone;Apigenin 4'-methyl ether;Buddleoflavonol;LY 064233;Linarigenin;NSC 76061;
PSA 79.90000
LogP 2.87980

Synthetic route

: 5892-39-7
acacetin diacetate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 1h;	100%

: 1-<2-hydroxy-4,6-bis(methoxymethoxy)phenyl>-3-(4-methoxyphenyl)propane-1,3-dione

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With Amberlyst 15 resin In isopropyl alcohol for 4h; Heating;	96%

: 20633-93-6
5-hydroxy-4'-methoxy-7-[(2-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]flavone

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With ethanol; sulfuric acid for 2h; Reflux;	87%

: 108-73-6
3,5-dihydroxyphenol

: 2881-83-6
ethyl 4-methoxybenzoylacetate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
for 0.0583333h; microwave irradiation;	81%
With dmap at 200℃; for 3h; Reagent/catalyst; Inert atmosphere;	71%

: 520-36-5
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

: 74-88-4
methyl iodide

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; regiospecific reaction;	79%
With potassium carbonate In N,N-dimethyl-formamide for 2h;

: 4,6-bis(methoxymethyl)-2-(4-methoxylbenzoyloxy)acetophenone

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Stage #1: 4,6-bis(methoxymethyl)-2-(4-methoxylbenzoyloxy)acetophenone With potassium hydroxide In pyridine at 50℃; for 0.333333h; Stage #2: With acetic acid In pyridine; water for 0.5h; Stage #3: With hydrogenchloride In methanol Reflux;	75%

: 480-66-0
2,4,6-trihydroxyacetophenone

: 100-07-2
4-methoxy-benzoyl chloride

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With potassium carbonate In acetone at 65℃; for 24h; Inert atmosphere;	72%
Stage #1: 2,4,6-trihydroxyacetophenone With potassium carbonate In acetone at 20℃; for 0.166667h; Inert atmosphere; Stage #2: 4-methoxy-benzoyl chloride In acetone at 60℃; for 24h; Inert atmosphere;	71%
Stage #1: 2,4,6-trihydroxyacetophenone With potassium carbonate In acetone at 20℃; for 0.166667h; Stage #2: 4-methoxy-benzoyl chloride In acetone for 24h; Heating;	45%
Stage #1: 2,4,6-trihydroxyacetophenone; 4-methoxy-benzoyl chloride With potassium carbonate In pyridine at 120℃; for 3h; Heating / reflux; Stage #2: With potassium hydroxide; water In methanol for 20h; Heating / reflux; Stage #3: With acetic acid In water pH=9;
Stage #1: 2,4,6-trihydroxyacetophenone; 4-methoxy-benzoyl chloride With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene for 8h; Reflux; Stage #2: With sodium hydroxide In 1,4-dioxane; methanol

: 110865-07-1
C32H24O9

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sodium methylate In ethanol; dichloromethane	70%

: 480-36-4
acacetin 7-O-rutinoside

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride at 50 - 55℃; for 1.5h;	70%

: 771481-08-4
7-benzyl-3'-phenyltetrazolyldiosmetin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In methanol for 2.5h; Heating;	68%

: 5631-70-9
4',5,7-trimethoxyflavone

A: 520-36-5
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

B: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With N-butyl-N-methylimidazolium heptachlorodialuminate In dichloromethane at 40℃; for 4h;	A 54% B 16%

: 77-78-1
dimethyl sulfate

: 17306-46-6
rhoifolin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Stage #1: dimethyl sulfate; rhoifolin With sodium hydroxide In water at 10 - 25℃; for 6h; Stage #2: With sulfuric acid In water for 8h; Reflux;	32.31%

: 80443-15-8, 4291-60-5
acacetin 7-O-β-D-galactopyranoside

A: 10257-28-0
D-Galactose

B: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 2h; on steam bath;	A n/a B 18%

: 110865-03-7
2-chloro-1-(2,4,6-trihydroxyphenyl)ethan-1-one

: 123-11-5
4-methoxy-benzaldehyde

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Stage #1: 2-chloro-1-(2,4,6-trihydroxyphenyl)ethan-1-one; 4-methoxy-benzaldehyde With potassium hydroxide In ethanol at 20℃; for 3h; Stage #2: With hydrogenchloride In ethanol; water at 55℃; for 1h;	17.8%

: 108-73-6
3,5-dihydroxyphenol

: 22027-50-5
methyl 3-(4-methoxybenzoyl)acetate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
at 250℃;

: 480-43-3, 26207-61-4, 65337-52-2
5,7-dihydroxy-2-(4-methoxyphenyl)chroman-4-one

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With ethanol; iodine; sodium acetate

: 117894-08-3
5,7-diacetoxy-2-(4-methoxy-phenyl)-chroman-4-one

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With chloroform; bromine Irradiation.Erwaermen des Reaktionsprodukts mit wss.-aethanol. Natronlauge;

: 480-66-0
2,4,6-trihydroxyacetophenone

: 794-94-5
p-Methoxybenzoic anhydride

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sodium anisate Verseifen des Reaktionsprodukts mit alkoholisch-waessriger-Kalilauge;

: 520-36-5
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

A: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

B: 5128-44-9
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Conditions

Conditions	Yield
With O-methyl transferase from cell-free extract of Citrus mitis; <(14)CH3>-S-adenosyl-L-methionine; 2-hydroxyethanethiol In water; dimethyl sulfoxide at 35℃; for 0.5h; Product distribution; pH 7.5 buffer;

: 99474-26-7
1-(4-Methoxy-phenyl)-3-(2,4,6-trihydroxy-phenyl)-propane-1,3-dione

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With potassium carbonate; acetic acid 1.) reflux, 4 h, 2.) 5 min; Yield given;
With sulfuric acid In acetic acid at 95 - 100℃; Yield given;
With sulfuric acid; acetic acid at 100℃; for 1h; Yield given;

: 80443-16-9
C32H26O10

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sodium acetate In acetic acid for 3h; Heating;

: isosakuranetin 7-O-rhamnoside

A: 28161-50-4
6-deoxy-β-D-mannopyranose

B: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride at 100℃; for 3h;

: acacetin-7-O-<β-D-glucopyranosyl(1->4)-α-D-xylopyranoside>

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sulfuric acid at 100℃; for 2h;

acaciin: acaciin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With sulfuric acid

apiin methyl ether: apiin methyl ether

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride

linarin: linarin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
With hydrogenchloride

: 771480-96-7
3'-O-(1-phenyltetrazol-5-yl)diosmin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 53 percent / HCOONH4 / Pd/C / methanol / 5 h / Heating 2: 70 percent / aq. HCl / 1.5 h / 50 - 55 °C View Scheme

: 520-34-3
diosmetin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 66 percent / KHCO3 / dimethylformamide / 2.5 h / 120 °C 2: 67 percent / KHCO3 / dimethylformamide / 1 h / 120 °C 3: 68 percent / HCOONH4 / Pd/C / methanol / 2.5 h / Heating View Scheme

: 520-27-4
diosmin

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 40 percent / KHCO3 / dimethylformamide / 2 h / 80 °C 2: 53 percent / HCOONH4 / Pd/C / methanol / 5 h / Heating 3: 70 percent / aq. HCl / 1.5 h / 50 - 55 °C View Scheme

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 74-88-4
methyl iodide

: 5128-44-9
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	95%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; regiospecific reaction;	73%
In pyridine at 20℃; for 2h;

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 1939-99-7
benzenesulfonyl chloride

: 7-benzylsulfonylacacetin

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	94%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: C16H10Br2O5

Conditions

Conditions	Yield
With N-Bromosuccinimide In trifluoroacetic acid at 20℃; for 5h;	94%

: 14273-90-6
methyl 6-bromohexanoate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: methyl 6-((5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)hexanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 6h; Inert atmosphere;	89%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 142-61-0
Hexanoyl chloride

: 5,7-di-O-hexanoyl-acacetin

Conditions

Conditions	Yield
With dmap; triethylamine In N,N-dimethyl-formamide at 20℃; for 4.5h; Cooling with ice;	87%
With dmap; triethylamine In N,N-dimethyl-formamide

: 26825-92-3
methyl 8-bromooctanoate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: methyl 8-((5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)octanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 6h; Inert atmosphere;	87%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 106-96-7
propargyl bromide

: 7-O-propargylacacetin

Conditions

Conditions	Yield
With potassium carbonate In acetone for 2h; Reflux;	85%

: 29823-18-5
ethyl 7-bromoheptanoate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: ethyl 7-((5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)heptanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 6h; Inert atmosphere;	84%

: 572-09-8, 3068-32-4, 4026-32-8, 6919-96-6, 13242-53-0, 14227-54-4, 14795-18-7, 19186-59-5, 19285-38-2, 21698-13-5, 29907-26-4, 53369-42-9, 60619-58-1, 61303-35-3, 67337-79-5, 69127-37-3, 70749-15-4, 72002-90-5, 75247-30-2, 75880-74-9, 78418-57-2, 102339-89-9, 102339-90-2, 103530-40-1, 114028-03-4, 114718-45-5, 138514-70-2, 138514-71-3
2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 1389307-17-8
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In chloroform at 45℃; for 12h; Inert atmosphere; regioselective reaction;	83%
With tetrabutylammomium bromide; potassium carbonate In chloroform at 45℃; for 12h;	83.11%

: 55791-52-1
1-(chloromethyl)-2,4-dimethoxybenzene

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: C35H34O8

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 110 - 120℃; for 8h; Inert atmosphere;	82.07%

: 3386-32-1
n-octadecyl p-toluenesulfonate

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: C52H84O5

Conditions

Conditions	Yield
With sodium carbonate In benzene at 20 - 130℃; for 8h;	80.28%

: 126641-47-2
C14H19FO9

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 80443-10-3
5-hydroxy-4'-methoxyflavone 7-O-β-D-galactopyranoside tetraacetate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -20 - -5℃; for 3.5h; Molecular sieve; Inert atmosphere; stereoselective reaction;	78%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 4163-45-5
2,3,4,6-tetra-O-acetyl-β-galactopyranosyl fluoride

: 80443-10-3
5-hydroxy-4'-methoxyflavone 7-O-β-D-galactopyranoside tetraacetate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -20 - -5℃; Inert atmosphere; stereoselective reaction;	78%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 108549-23-1
Dibenzyl N,N-diisopropylphosphoramidite

: C30H25O8P

Conditions

Conditions	Yield
Stage #1: 5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one; Dibenzyl N,N-diisopropylphosphoramidite With 1H-tetrazole In acetonitrile at 20℃; for 12h; Stage #2: With tert.-butylhydroperoxide In acetonitrile at 20℃; for 0.0833333h;	76%

: 3068-32-4
1-bromo-2,3,4,6-tetra-O-acetyl-D-galactopyranose

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 80443-10-3
5-hydroxy-4'-methoxyflavone 7-O-β-D-galactopyranoside tetraacetate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In chloroform at 45℃; for 12h; Inert atmosphere; regioselective reaction;	75%

: 4227-95-6
[13C]methyl iodide

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 13C-4’,12C-7-methylapigenenin

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; regiospecific reaction;	73%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 4753-07-5, 5160-10-1, 14206-57-6, 14227-66-8, 14257-35-3, 67650-37-7, 68682-05-3, 69308-57-2, 69349-74-2, 70223-96-0, 70223-97-1, 71276-38-5, 85248-99-3, 118493-15-5, 120575-76-0, 42385-75-1
α-hepta-O-acetylmaltosyl bromide

: acacetin-7-O-β-D-hepta-O-acetylmaltoside

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In chloroform at 45℃; for 12h; Inert atmosphere; regioselective reaction;	71%

: α-hepta-O-acetyllactosyl bromide

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: 1389307-18-9
acacetin-7-O-β-D-hepta-O-acetyllactoside

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In chloroform at 45℃; for 12h; Inert atmosphere; regioselective reaction;	65%

: 480-44-4
5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one

: N-(3-bromopropyl)propane-1-sulfonamide

: N-{3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochroman-3-yl]propyl}propane-1-sulfonamide

Conditions

Conditions	Yield
Stage #1: N-(3-bromopropyl)propane-1-sulfonamide With magnesium In tetrahydrofuran Heating; Stage #2: 5,7-dihydroxy-2-(4'-methoxyphenyl)-4H-1-benzopyran-4-one With zirconocene dichloride In tetrahydrofuran at 30 - 40℃; for 2h;	65%

Acacetin Specification

The CAS register number of Acacetin is 480-44-4. It also can be called as 5,7-Dihydroxy-4'-methoxyflavone and the IUPAC name about this chemical is 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one. The molecular formula about this chemical is C₁₆H₁₂O₅ and the molecular weight is 284.26. It belongs to the Tri-substituted Flavones. This chemical is an O-methylated flavone found in Robinia pseudoacacia (black locust).

Physical properties about Acacetin are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.09; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 126.61; (5)ACD/BCF (pH 7.4): 9.05; (6)ACD/KOC (pH 5.5): 1070.83; (7)ACD/KOC (pH 7.4): 76.58; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99Å²; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 74.64 cm³; (14)Molar Volume: 200.1 cm³; (15)Polarizability: 29.59x10^-24cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Enthalpy of Vaporization: 82.1 kJ/mol; (18)Boiling Point: 518.6 °C at 760 mmHg; (19)Vapour Pressure: 2.25E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-hydroxy-4,6-bis-methoxymethoxy-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione. This reaction will need reagent Amberlyst 15 resin and solvent propan-2-ol. The reaction time is 4 hour(s) at heating. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)cc2)cc(O)cc3O
(2)InChI: InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
(3)InChIKey: DANYIYRPLHHOCZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
(5)Std. InChIKey: DANYIYRPLHHOCZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	933mg/kg (933mg/kg)		Russian Pharmacology and Toxicology Vol. 32, Pg. 210, 1969.
mouse	LD50	unreported	933mg/kg (933mg/kg)		Russian Pharmacology and Toxicology Vol. 32, Pg. 210, 1969.

Product Name

Acacetin

Synthetic route

Acacetin Specification

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