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Name |
Butanoic acid,4-formylphenyl ester |
EINECS | N/A |
CAS No. | 50262-49-2 | Density | 1.119 g/cm3 |
PSA | 43.37000 | LogP | 2.20460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12O3 | Boiling Point | 304.5 °C at 760 mmHg |
Molecular Weight | 192.214 | Flash Point | 132.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Formylphenyl butanoate;p-Formylphenyl butyrate;(4-Formylphenyl) butanoate;4-Formylphenyl butyrate;p-Butyryloxybenzaldehyde;p-Formylphenyl butyrate; |
Article Data | 2 |
The Butanoic acid,4-formylphenyl ester, with the CAS registry number of 50262-49-2, is also known as p-Formylphenyl butyrate. The molecular formula of this chemical is C11H12O3 and its molecular weight is 192.21. What's more, its IUPAC name is (4-Formylphenyl) butanoate.
Physical properties about Butanoic acid,4-formylphenyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.13; (6)ACD/BCF (pH 7.4): 30.13; (7)ACD/KOC (pH 5.5): 398.34; (8)ACD/KOC (pH 7.4): 398.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 53.61 cm3; (15)Molar Volume: 171.7 cm3; (16)Polarizability: 21.25×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 54.48 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000873 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)C=O)CCC
(2) InChI: InChI=1/C11H12O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-8H,2-3H2,1H3
(3) InChIKey: DAFTVVBQFUITOL-UHFFFAOYAY