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| CAS No.: | 529-84-0 |
|---|---|
| Name: | 4-METHYLESCULETIN |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H8 O4 |
| Molecular Weight: | 192.171 |
| Synonyms: | Coumarin,6,7-dihydroxy-4-methyl- (7CI,8CI); Esculetin, 4-methyl- (6CI);4-Methyl-6,7-dihydroxycoumarin; 4-Methylaesculetin; 4-Methylesculetin;4-Methylesculetol; 6,7-Dihydroxy-4-methylcoumarin; Methylesculetin; NSC 11828;NSC 688807 |
| EINECS: | 208-470-0 |
| Density: | 1.456 g/cm3 |
| Melting Point: | 274-276 °C(lit.) |
| Boiling Point: | 455.5 °C at 760 mmHg |
| Flash Point: | 190.7 °C |
| Solubility: | DMF: soluble in water |
| Appearance: | Yellow needle crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | Moderately toxic by ingestion. Slightly toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 70.67000 |
| LogP: | 1.51260 |
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Chemistry
IUPAC Name: 6,7-Dihydroxy-4-methylchromen-2-one
Synonyms : 6,7-Dihydroxy-4-methyl-2H-chromen-2-one ; 2H-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl- ; 4-Methyl-6, 7-dihydroxycoumarin ; 4-Methyl-6,7-dihydroxycoumarin ; 4-Methylaesculetin ; 4-Methylesculetin ; 4-Methylesculetol
Molecular Structure : 
Molecular Formula : C10H8O4
Molecular Weight : 192.17
CAS NO: 529-84-0
EINECS : 208-470-0
BRN 162550
Product Categories: Coumarins
Index of Refraction: 1.651
Surface Tension: 63.4 dyne/cm
Density: 1.456 g/cm3
Flash Point: 190.7 °C
Enthalpy of Vaporization: 74.27 kJ/mol
Boiling Point: 455.5 °C at 760 mmHg
Vapour Pressure: 6.46E-09 mmHg at 25°C
Melting point: 274-276 °C(lit.)
Appearance: 4-Methylesculetin (CAS NO. 529-84-0) is yellow needle crystal.
Solubility: 4-Methylesculetin (CAS NO. 529-84-0) is soluble in hot water, alcohol, acetic acid, concentrated sulfuric acid and dilute alkali, the solution appears blue fluorescence, green in case of ferric chloride.
Uses
4-Methylesculetin (CAS NO. 529-84-0) is used as a fluorescent indicator.
Production
Phenyl triacetate is generated from reaction of p-benzoquinone with acetic anhydride in the presence of concentrated acid . reaction of phenyl triacetate with ethyl acetoacetate under the action of the sulfuric acid, the reactant poured into the ice water, precipitation of crude methyl 7 clovertei, re-crystallization the crystallization which is filtered out, then 4-Methylesculetin (CAS NO. 529-84-0) is derived.
Toxicity Data With Reference
| 1. | ipr-rat LD50:5130 mg/kg | THERAP Therapie. 20 (1965),879. | ||
| 2. | orl-mus LD50:3200 mg/kg | MPHEAE Medicina et Pharmacologia Experimentalis. 17 (1967),497. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes 
Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany 2
RTECS GN6384500
F 8