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Cas Database |
| Name |
Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester |
EINECS | 247-272-9 |
| CAS No. | 25804-49-3 | Density | 1.108 g/cm3 |
| PSA | 46.53000 | LogP | 2.34750 |
| Solubility | N/A | Melting Point |
130-132 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4)) |
| Formula | C11H14O3 | Boiling Point | 295.573 °C at 760 mmHg |
| Molecular Weight | 194.23 | Flash Point | 121.533 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, p-hydroxy-, tert-butyl ester (8CI);4-(tert-Butoxycarbonyl)phenol;4-Hydroxybenzoic acid tert-butyl ester;p-Hydroxybenzoic acid tert-butyl ester;tert-Butyl 4-hydroxybenzoate;tert-Butyl p-hydroxybenzoate; |
Article Data | 41 |
Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester Specification
The Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester, with the CAS registry number 25804-49-3, is also known as tert-Butyl p-hydroxybenzoate. This chemical's molecular formula is C11H14O3 and molecular weight is 194.23. What's more, its systematic name is tert-Butyl 4-hydroxybenzoate and its EINECS number is 247-272-9.
Physical properties of Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.155; (4)ACD/LogD (pH 7.4): 3.099; (5)ACD/BCF (pH 5.5): 147.169; (6)ACD/BCF (pH 7.4): 129.159; (7)ACD/KOC (pH 5.5): 1239.115; (8)ACD/KOC (pH 7.4): 1087.474; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 53.772 cm3; (15)Molar Volume: 175.325 cm3; (16)Polarizability: 21.317×10-24 cm3; (17)Surface Tension: 40.242 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 121.533 °C; (20)Enthalpy of Vaporization: 55.672 kJ/mol; (21)Boiling Point: 295.573 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)c1ccc(cc1)O
(2)InChI: InChI=1/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3
(3)InChIKey: WHWMOMRHHQLBQQ-UHFFFAOYSA-N
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