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| CAS No.: | 531-59-9 |
|---|---|
| Name: | 7-Methoxycoumarin |
| Article Data: | 110 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H8O3 |
| Molecular Weight: | 176.172 |
| Synonyms: | Herniarin (6CI);Umbelliferone, methyl ether (6CI);7-Methoxychromen-2-one;Ayapanin;Methylumbelliferone; |
| EINECS: | 208-513-3 |
| Density: | 1.249 g/cm3 |
| Melting Point: | 117-121 °C(lit.) |
| Boiling Point: | 335.3 °C at 760 mmHg |
| Flash Point: | 138.6 °C |
| Solubility: | MISCIBLE |
| Appearance: | Beige powder. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 39.44000 |
| LogP: | 1.80160 |
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| 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% |
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Chemistry
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):
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.
Consensus Reports
Reported in EPA TSCA Inventory.
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.
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.