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| CAS No.: | 66232-34-6 |
|---|---|
| Name: | 4-tert-Butylsalicylaldehyde |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | 2-Hydroxy-4-tert-butylbenzaldehyde;4-tert-Butyl-2-hydroxybenzaldehyde;4-tert-Butylsalicylaldehyde; |
| EINECS: | 613-912-4 |
| Density: | 1.072 g/cm3 |
| Boiling Point: | 262.916 °C at 760 mmHg |
| Flash Point: | 109.169 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 37.30000 |
| LogP: | 2.50220 |
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Specification
The 4-tert-Butyl-2-hydroxybenzaldehyde with cas registry number of 66232-34-6 is a kind of Benzaldehyde compounds. It is also known as 4-tert-Butylsalicylaldehyde. Both its systematic name and IUPAC name are the same which is called 4-tert-butyl-2-hydroxybenzaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 188; (6)ACD/BCF (pH 7.4): 167; (7)ACD/KOC (pH 5.5): 1476; (8)ACD/KOC (pH 7.4): 1312; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 53.275 cm3; (14)Molar Volume: 166.217 cm3; (15)Surface Tension: 39.003 dyne/cm; (16)Density: 1.072 g/cm3; (17)Flash Point: 109.169 °C; (18)Enthalpy of Vaporization: 52.092 kJ/mol; (19)Boiling Point: 262.916 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1O)C(C)(C)C;
(2)InChI: InChI=1/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3;
(3)InChIKey: UYRSLWPKZKASRB-UHFFFAOYAZ