The Phthalide, with the CAS registry number 87-41-2, is also known as 1(3H)-Isobenzofuranone. Its EINECS registry number is 201-744-0. This chemical's molecular formula is C₈H₆O₂ and molecular weight is 134.13. What's more, its IUPAC name is called 3H-2-Benzofuran-1-one. Phthalide is a lactone that serves as the core chemical structure for a variety of more complex chemical compounds including dyes, fungicides and natural oils.

Physical properties about Phthalide are: (1)ACD/LogP: 1.029; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.56; (6)ACD/BCF (pH 7.4): 3.56; (7)ACD/KOC (pH 5.5): 86.43; (8)ACD/KOC (pH 7.4): 86.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.551 cm³; (15)Molar Volume: 106.065 cm³; (16)Polarizability: 14.094×10^-24 cm³; (17)Surface Tension: 47.17 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 124.844 °C; (20)Enthalpy of Vaporization: 52.934 kJ/mol; (21)Boiling Point: 289.999 °C at 760 mmHg; (22)Vapour Pressure: 0.0020 mmHg at 25 °C.

Preparation of Phthalide: this chemical can be prepared by 2-methyl-benzoic acid. This reaction needs reagents sodium bromate, sodium hydrogen sulfite and solvents ethyl acetate, H₂O at temperature of 20 °C. The reaction time is 40 hours. The yield is 63 %.

Uses of Phthalide: (1)it is mainly used as intermediates in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with methylmagnesium bromide to get 2-(a-hydroxy-isopropyl)-benzyl alcohol. The reaction occurs with diethyl ether at temperature of 20 °C. The yield is 100 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCc2ccccc12
(2) InChI: InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
(3) InChIKey: WNZQDUSMALZDQF-UHFFFAOYSA-N

The toxicity data is as follows: