Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenebutanoic acid,4-butyl-g-oxo- |
EINECS | N/A |
CAS No. | 72271-71-7 | Density | 1.092 g/cm3 |
PSA | 54.37000 | LogP | 3.07670 |
Solubility | N/A | Melting Point |
109-111 °C |
Formula | C14H18O3 | Boiling Point | 418.7 °C at 760 mmHg |
Molecular Weight | 234.295 | Flash Point | 221.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Butylphenyl)-4-oxobutanoic acid;Propionicacid, 3-p-butylbenzoyl- (6CI);4-(4-N-Butylphenyl)-4-oxobutyric acid;4-[4-(1-Butyl)phenyl]-4-oxobutyric acid; |
Article Data | 9 |
The CAS register number of Benzenebutanoic acid,4-butyl-g-oxo- is 72271-71-7. It also can be called as 4-(4-N-Butylphenyl)-4-oxobutyric acid and the IUPAC name about this chemical is 4-(4-butylphenyl)-4-oxobutanoic acid. The molecular formula about this chemical is C14H18O3 and the molecular weight is 234.29.
Physical properties about Benzenebutanoic acid,4-butyl-g-oxo- are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 21.25; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 163.21; (7)ACD/KOC (pH 7.4): 2.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 65.92 cm3; (14)Molar Volume: 214.4 cm3; (15)Polarizability: 26.13x10-24cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.092 g/cm3; (18)Flash Point: 221.2 °C; (19)Enthalpy of Vaporization: 70.88 kJ/mol; (20)Boiling Point: 418.7 °C at 760 mmHg; (21)Vapour Pressure: 9.28E-08 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)CCC(=O)c1ccc(cc1)CCCC
(2)InChI: InChI=1/C14H18O3/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14(16)17/h5-8H,2-4,9-10H2,1H3,(H,16,17)
(3)InChIKey: CQXSYJVVDLNUAJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H18O3/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14(16)17/h5-8H,2-4,9-10H2,1H3,(H,16,17) (5)Std. InChIKey: CQXSYJVVDLNUAJ-UHFFFAOYSA-N