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| CAS No.: | 24623-65-2 |
|---|---|
| Name: | 3-tert-Butyl-2-hydroxybenzaldehyde |
| Article Data: | 68 |
| Molecular Structure: | |
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|
|
| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | Salicylaldehyde,3-tert-butyl- (8CI);2-Hydroxy-3-tert-butylbenzaldehyde;3-(tert-Butyl)-2-hydroxybenzaldehyde;3-t-Butyl-2-hydroxybenzaldehyde; |
| Density: | 1.072 g/cm3 |
| Boiling Point: | 234.259 °C at 760 mmHg |
| Flash Point: | 95.318 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 2.50220 |
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Specification
The 3-tert-Butyl-2-hydroxybenzaldehyde is a chemical compound with cas registry number of 24623-65-2. Both its systematic name and IUPAC name are the same which is called 3-tert-butyl-2-hydroxybenzaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 188.27; (6)ACD/BCF (pH 7.4): 186.96; (7)ACD/KOC (pH 5.5): 1478.73; (8)ACD/KOC (pH 7.4): 1468.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 53.27 cm3; (14)Molar Volume: 166.2 cm3; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.072 g/cm3; (17)Flash Point: 95.3 °C; (18)Enthalpy of Vaporization: 49.01 kJ/mol; (19)Boiling Point: 234.3 °C at 760 mmHg; (20)Vapour Pressure: 0.035 mmHg at 25°C ; (21)Refractive index: n20/D 1.544(lit.).
Preparation of 3-tert-Butyl-2-hydroxybenzaldehyde: it can be made by reaction of formaldehyde and 2-tert-butyl-phenol using reagents SnCl2, 4-picolin and solvent toluene at temperature 95 ℃. The reaction time 6 hours.
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Uses of 3-tert-Butyl-2-hydroxybenzaldehyde: it can react with aniline to prepare 2-tert-butyl-6-phenyliminomethyl-phenol by using reagent 3 Angstroem sieves and solvent Ethanol at temperature 20 ℃. The reaction time is 16 hours with 95% yield.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing during using it. 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=Cc1cccc(c1O)C(C)(C)C;
(2)InChI: InChI=1/C11H14O2/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-7,13H,1-3H3;
(3)InChIKey: ROILLNJICXGZQQ-UHFFFAOYAY