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10538-48-4

Basic Information
CAS No.: 10538-48-4
Name: 3-(2,3-DIMETHOXYPHENYL)PROPANOIC ACID
Article Data: 18
Cas Database
Molecular Structure:
Molecular Structure of 10538-48-4 (3-(2,3-DIMETHOXYPHENYL)PROPANOIC ACID)
Formula: C11H14O4
Molecular Weight: 210.23
Synonyms: 2,3-DIMETHOXYHYDROCINNAMIC ACID;3-(2,3-DIMETHOXYPHENYL)PROPIONIC ACID;3-(2,3-DIMETHOXYPHENYL)PROPANOIC ACID;2,3-DiMethoxybenzenepropanoic Acid;2,3-DiMethoxybenzenepropionic Acid;2,3-DiMethoxy-β-phenylpropionic Acid;NSC 235796;β-(2,3-DiMethoxyphenyl)propionic Acid
Density: 1.159 g/cm3
Melting Point: 64-68 °C(lit.)
Boiling Point: 331.9 °C at 760 mmHg
Flash Point: 126.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25
PSA: 55.76000
LogP: 1.72100
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The Benzenepropanoic acid,2,3-dimethoxy- is an organic compound with the formula C11H14O4. The IUPAC name of this chemical is 3-(2,3-dimethoxyphenyl)propanoic acid. With the CAS registry number 10538-48-4, it is also named as 2,3-Dimethoxyhydrocinnamic acid. The product's categories are C11 to C12; Carbonyl Compounds; Carboxylic Acids. It is white powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.69; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 55.35 cm3; (14)Molar Volume: 181.3 cm3; (15)Polarizability: 21.94×10-24 cm3; (16)Surface Tension: 40.9 dyne/cm; (17)Enthalpy of Vaporization: 60.65 kJ/mol; (18)Vapour Pressure: 6.03E-05 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 210.089209; (21)MonoIsotopic Mass: 210.089209; (22)Topological Polar Surface Area: 55.8; (23)Heavy Atom Count: 15; (24)Complexity: 205.

Preparation of Benzenepropanoic acid,2,3-dimethoxy-: It can be obtained by 2,3-dimethoxy-cinnamic acid. This reaction needs reagents sodium amalgam and diluted NaOH-solution.

Uses of Benzenepropanoic acid,2,3-dimethoxy-: It can be used to produce 4,5-dimethoxy-indan-1-one. This reaction needs reagent polyphosphoric acid at temperature of 70 °C. The reaction time is 75 min. The yield is 92%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CCc1cccc(OC)c1OC
2. InChI:InChI=1/C11H14O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13) 
3. InChIKey:QPHAUUNQQLRYCJ-UHFFFAOYAL