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CAS No.: | 22084-89-5 |
---|---|
Name: | 3-(2-METHYLPHENYL)PROPIONIC ACID |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | Hydrocinnamicacid, o-methyl- (7CI,8CI);2-Methyl-b-phenylpropionic acid;3-(2-Methylphenyl)propan-1-oicacid;3-(2-Methylphenyl)propanoic acid;3-(2-Methylphenyl)propionic acid;o-Methylhydrocinnamic acid; |
Density: | 1.097g/cm3 |
Melting Point: | 100-103 °C(lit.) |
Boiling Point: | 293.3 °C at 760 mmHg |
Flash Point: | 190.5 °C |
Solubility: | Soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 37.30000 |
LogP: | 2.01220 |
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The Benzenepropanoic acid,2-methyl-, with CAS registry number 22084-89-5, belongs to the following product categories: (1)C10; (2)Carbonyl Compounds; (3)Carboxylic Acids. It has the systematic name of 3-(2-methylphenyl)propanoic acid. And the chemical formula of this chemical is C10H12O2.
Physical properties of Benzenepropanoic acid,2-methyl-: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 4.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 57.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 46.82 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 18.56×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 56.28 kJ/mol; (21)Boiling Point: 293.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000792 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-cinnamic acid. This reaction will need reagents sodium amalgam, water.
Uses of Benzenepropanoic acid,2-methyl-: it can be used to produce 4-methyl-indan-1-one. This reaction will need reagent HF.
When you are using this chemical, please be cautious about it as the following:
The Benzenepropanoic acid,2-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1ccccc1C
(2)InChI: InChI=1/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(3)InChIKey: JIRKNEAMPYVPTD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(5)Std. InChIKey: JIRKNEAMPYVPTD-UHFFFAOYSA-N