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CAS No.: | 64740-36-9 |
---|---|
Name: | 3-(4-ETHYLPHENYL)PROPIONIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H14O2 |
Molecular Weight: | 178.231 |
Synonyms: | 3-(4-Ethylphenyl)propanoicacid;3-(4-Ethylphenyl)propionic acid; |
Density: | 1.072 g/cm3 |
Melting Point: | 72 °C |
Boiling Point: | 304 °C at 760 mmHg |
Flash Point: | 201.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 2.26620 |
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The CAS register number of Benzenepropanoic acid,4-ethyl- is 64740-36-9. It also can be called as 3-(4-Ethylphenyl)propionic acid and the systematic name about this chemical is 3-(4-ethylphenyl)propanoic acid. The molecular formula about this chemical is C11H14O2 and the molecular weight is 178.23. It belongs to the following product categorie which include Aromatic Propionic Acids.
Physical properties about Benzenepropanoic acid,4-ethyl- are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 11.13; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 110.23; (7)ACD/KOC (pH 7.4): 1.74; (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: 1.532; (13)Molar Refractivity: 51.54 cm3; (14)Molar Volume: 166.2 cm3; (15)Polarizability: 20.43x10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.072 g/cm3; (18)Flash Point: 201.1 °C; (19)Enthalpy of Vaporization: 57.48 kJ/mol; (20)Boiling Point: 304 °C at 760 mmHg; (21)Vapour Pressure: 0.000395 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of 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)CCc1ccc(cc1)CC
(2)InChI: InChI=1/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
(3)InChIKey: MUQCDEGKKWQCAO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
(5)Std. InChIKey: MUQCDEGKKWQCAO-UHFFFAOYSA-N