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| CAS No.: | 4521-22-6 |
|---|---|
| Name: | 4-(P-TOLYL)BUTYRIC ACID |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | Butyricacid, 4-p-tolyl- (6CI,7CI,8CI);4-(4-Methylphenyl)butanoic acid;4-(4-Methylphenyl)butyric acid;4-p-Tolylbutyric acid;NSC 57013; |
| EINECS: | 224-848-8 |
| Density: | 1.072 g/cm3 |
| Melting Point: | 54-58 °C |
| Boiling Point: | 308.3 °C at 760 mmHg |
| Flash Point: | 205.4 °C |
| Appearance: | Off-white to light yellow-beige crystals |
| Safety: | 24/25 |
| PSA: | 37.30000 |
| LogP: | 2.40230 |
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Specification
The CAS register number of 4-(4-Methylphenyl)butyric acid is 4521-22-6. It also can be called as 4-(4-Methylphenyl)butyric acid and the IUPAC name about this chemical is 4-(4-methylphenyl)butanoic acid. The molecular formula about this chemical is C11H14O2 and the molecular weight is 178.23. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.
Physical properties about 4-(4-Methylphenyl)butyric acid are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 14.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 137.85; (7)ACD/KOC (pH 7.4): 2.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 51.45 cm3; (14)Molar Volume: 166.1 cm3; (15)Polarizability: 20.39x10-24cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Density: 1.072 g/cm3; (18)Flash Point: 205.4 °C; (19)Enthalpy of Vaporization: 57.97 kJ/mol; (20)Boiling Point: 308.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000297 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-oxo-4-p-tolyl-butyric acid. This reaction will need reagents of hydrazine hydrate, potassium hydroxide and solvent of ethane-1,2-diol. The reaction temperature is 20 - 160 °C.
butyric acid.jpg)
Uses of 4-(4-Methylphenyl)butyric acid: it can be used to produce 5-p-tolyl-dihydro-furan-2-one. This reaction will need reagent of ceric ammonium nitrate, nitric acid and solvent of acetonitrile. The reaction time is 8 hours and it needs heating. The yield is about 46%.
butyric acid.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is irritant, and if you want to use it, avoid contact with skin and eyes. Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCc1ccc(cc1)C
(2)InChI: InChI=1/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
(3)InChIKey: IXWOVMRDYFFXGI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
(5)Std. InChIKey: IXWOVMRDYFFXGI-UHFFFAOYSA-N