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| CAS No.: | 19438-61-0 |
|---|---|
| Name: | 4-Methylphthalic anhydride |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C9H6O3 |
| Molecular Weight: | 162.145 |
| Synonyms: | Phthalic anhydride, 4-methyl-;4-Methylphthalic acid anhydride;5-Methylisobenzofuran-1,3-dione;Resorcinol dibenzoate; |
| EINECS: | 243-073-6 |
| Density: | 1.364 g/cm3 |
| Melting Point: | 90-92 °C(lit.) |
| Boiling Point: | 294.999 °C at 760 mmHg |
| Flash Point: | 156.333 °C |
| Solubility: | Insoluble in water |
| Appearance: | white to yellow-orange flakes |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 43.37000 |
| LogP: | 1.30560 |
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Specification
The 4-Methylphthalic anhydride, with the CAS registry number 19438-61-0, is also known as Phthalic anhydride, 4-methyl-. It belongs to the product categories of Diels-Alder Adducts; Phthalic Acids, Esters and Derivatives; Organics; Anhydride Monomers; Monomers; Polymer Science. Its EINECS number is 243-073-6. This chemical's molecular formula is C9H6O3 and molecular weight is 162.14. What's more, its systematic name is 5-Methyl-2-benzofuran-1,3-dione.
Physical properties of 4-Methylphthalic anhydride are: (1)ACD/LogP: 1.656; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.67; (6)ACD/BCF (pH 7.4): 10.67; (7)ACD/KOC (pH 5.5): 189.53; (8)ACD/KOC (pH 7.4): 189.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 40.507 cm3; (15)Molar Volume: 118.838 cm3; (16)Polarizability: 16.058×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.364 g/cm3; (19)Flash Point: 156.333 °C; (20)Enthalpy of Vaporization: 53.468 kJ/mol; (21)Boiling Point: 294.999 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
Uses of 4-Methylphthalic anhydride: it can be used to produce 2-(2,6-dimethyl-phenyl)-5-methyl-isoindole-1,3-dione by heating. It will need reagent acetic acid with the reaction time of 3 hours. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)c2cc(ccc12)C
(2)Std. InChI: InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3
(3)Std. InChIKey: ZOXBWJMCXHTKNU-UHFFFAOYSA-N