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Name |
4-tert-Butyl-2-hydroxybenzaldehyde |
EINECS | 613-912-4 |
CAS No. | 66232-34-6 | Density | 1.072 g/cm3 |
PSA | 37.30000 | LogP | 2.50220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14O2 | Boiling Point | 262.916 °C at 760 mmHg |
Molecular Weight | 178.231 | Flash Point | 109.169 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Hydroxy-4-tert-butylbenzaldehyde;4-tert-Butyl-2-hydroxybenzaldehyde;4-tert-Butylsalicylaldehyde; |
Article Data | 9 |
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