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88521-64-6

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Basic Information
CAS No.: 88521-64-6
Name: Acetic acid, (2-formyl-4-methylphenoxy)-
Article Data: 2
Molecular Structure:
Molecular Structure of 88521-64-6 (Acetic acid, (2-formyl-4-methylphenoxy)-)
Formula: C10H10O4
Molecular Weight: 194.187
Synonyms: (2-Formyl-4-methylphenoxy)acetic acid;
Density: 1.273 g/cm3
Boiling Point: 376.4 °C at 760 mmHg
Flash Point: 152.4 °C
PSA: 63.60000
LogP: 1.27090
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Specification

The chemical with CAS registry number of 88521-64-6 is known as Acetic acid, (2-formyl-4-methylphenoxy)-. The systematic name is (2-Formyl-4-methylphenoxy)acetic acid. In addition, the formula is C10H10O4 and the molecular weight is 194.18.

Physical properties about Acetic acid, (2-formyl-4-methylphenoxy)- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 50.7 cm3; (12)Molar Volume: 152.5 cm3; (13)Surface Tension: 51.3 dyne/cm; (14)Density: 1.273 g/cm3; (15)Flash Point: 152.4 °C; (16)Enthalpy of Vaporization: 65.83 kJ/mol; (17)Boiling Point: 376.4 °C at 760 mmHg; (18)Vapour Pressure: 2.46E-06 mmHg at 25 °C.

Preparation of Acetic acid, (2-formyl-4-methylphenoxy)-: it is prepared by reaction of (2-Formyl-4-methyl-phenoxy)-acetic acid ethyl ester. The reaction needs reagent 20percent aq. KOH and solvent ethanol at the temperature of 60 °C for 30 minutes. The yield is about 83.3%.

Acetic acid, (2-formyl-4-methylphenoxy- is prepared by reaction of (2-Formyl-4-methyl-phenoxy)-acetic acid ethyl ester.

Uses of Acetic acid, (2-formyl-4-methylphenoxy)-: it is used to produce 5-methyl-benzofuran and 5-methyl-benzofuran-2-carboxylic acid. The reaction occurs with reagents AcONa, Ac2O at the temperature of 110 °C for 3 hours. The yield is about 55.5%.

Acetic acid, (2-formyl-4-methylphenoxy)- is used to produce 5-methyl-benzofuran and 5-methyl-benzofuran-2-carboxylic acid.

You can still convert the following datas into molecular structure:
1. SMILES: OC(=O)COc1ccc(C)cc1C=O
2. InChI: InChI=1/C10H10O4/c1-7-2-3-9(8(4-7)5-11)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
3. InChIKey: LBWSPPAVWSPIPM-UHFFFAOYAA
4. Std. InChI: InChI=1S/C10H10O4/c1-7-2-3-9(8(4-7)5-11)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
5. Std. InChIKey: LBWSPPAVWSPIPM-UHFFFAOYSA-N