- 7-Methoxycoumarin
- 7-Methoxycoumarin
- 7-Methoxycoumarin-3-acetic acid
- 7-Methoxycoumarin-4-acetic acid
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Cas Database |
| Name |
7-Methoxycoumarin |
EINECS | 208-513-3 |
| CAS No. | 531-59-9 | Density | 1.249 g/cm3 |
| PSA | 39.44000 | LogP | 1.80160 |
| Solubility | MISCIBLE | Melting Point |
117-121 °C(lit.) |
| Formula | C10H8O3 | Boiling Point | 335.3 °C at 760 mmHg |
| Molecular Weight | 176.172 | Flash Point | 138.6 °C |
| Transport Information | N/A | Appearance | Beige powder. |
| Safety | 22-24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Herniarin (6CI);Umbelliferone, methyl ether (6CI);7-Methoxychromen-2-one;Ayapanin;Methylumbelliferone; |
Article Data | 110 |
7-Methoxycoumarin Synthetic route
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 80℃; for 1h; | 99% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 80℃; for 3h; Solvent; | 99% |
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole In neat (no solvent) at 100℃; for 0.0666667h; Microwave irradiation; Green chemistry; | 98% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 5h; Heating; | 97% |
| With potassium carbonate In acetone at 25℃; for 5h; Inert atmosphere; | 97% |
| With sodium hydride In N,N-dimethyl-formamide at 20℃; for 4h; | 94% |
- 673-22-3
2-Hydroxy-4-methoxybenzaldehyde
- 1099-45-2
ethyl (triphenylphosphoranylidene)acetate
- 531-59-9
7-methoxycoumarin
| Conditions | Yield |
|---|---|
| With N,N-diethylaniline at 215℃; for 0.25h; | 95.2% |
| With N,N-diethylaniline at 215℃; for 0.25h; Heating; | 95% |
| With N,N-diethylaniline at 215℃; for 0.25h; Product distribution; Mechanism; other solvent, other temperature; other salicylaldehydes; | 95.2% |
| Conditions | Yield |
|---|---|
| Stage #1: 7-hydroxy-2H-chromen-2-one With potassium hydroxide In acetonitrile for 0.5h; Stage #2: dimethyl sulfate In acetonitrile at 40℃; for 48h; | 95% |
| With potassium carbonate; potassium iodide In acetone at 20℃; for 5h; | 90.2% |
| With potassium carbonate In acetone for 0.05h; Etherification; methylation; microwave irradiation; | 85% |
| With potassium carbonate In acetone for 72h; Reflux; | 80% |
| With potassium carbonate; benzene |
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.025h; microwave irradiation; | 95% |
- 93-35-6
7-hydroxy-2H-chromen-2-one
- 35616-23-0
N,N,N,2-tetramethylbenzenaminium iodide
- 531-59-9
7-methoxycoumarin
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 80℃; for 3h; | 94% |
| Conditions | Yield |
|---|---|
| With boron trifluoride In diethyl ether for 0.0152778h; microwave irradiation; | 93% |
- 673-22-3
2-Hydroxy-4-methoxybenzaldehyde
- 4279-77-0
S-phenyl hydrogen thiomalonate
- 531-59-9
7-methoxycoumarin
| Conditions | Yield |
|---|---|
| With triethylamine; benzylamine In chloroform at 55℃; for 3h; | 92% |
7-Methoxycoumarin Chemical Properties
Empirical Formula: C10H8O3
Molecular Weight: 176.1687
EINECS: 208-513-3
Index of Refraction: 1.572
Density: 1.248 g/cm3
Flash Point: 138.6 °C
Enthalpy of Vaporization: 57.84 kJ/mol
Boiling Point: 335.3 °C at 760 mmHg
Vapour Pressure: 0.000121 mmHg at 25 °C
Melting point: 117-121 °C(lit.)
Water solubility: Miscible
Appearance: Beige to salmon-pinkish powder
Solubility: DMF: soluble
Product categories of 7-Methoxycoumarin (CAS NO.531-59-9)): Coumarins
Structure of 7-Methoxycoumarin (CAS NO.531-59-9):
7-Methoxycoumarin Toxicity Data With Reference
| 1. | orl-rat LD50:4300 mg/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),375. | ||
| 2. | skn-gpg LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),375. |
Carcinogenicity of Acenaphthenequinone (CAS NO.82-86-0) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.
7-Methoxycoumarin Consensus Reports
Reported in EPA TSCA Inventory.
7-Methoxycoumarin Safety Profile
Slightly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
7-Methoxycoumarin Specification
7-Methoxycoumarin ,its cas register number is 531-59-9. It also can be called Herniarin ; 2H-1-benzopyran-2-one, 7-methoxy- ; 7-Méthoxy-2H-chromén-2-one and 7-Methoxy-2H-chromen-2-on . It is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, Acenaphthenequinone (CAS NO.82-86-0) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.
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