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| CAS No.: | 4221-80-1 |
|---|---|
| Name: | 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C29H42O3 |
| Molecular Weight: | 438.651 |
| Synonyms: | UVA-3; 3,5-Di; 2,4-di-tert-butylphenyl-3,5-dibutyl-4-hydroxybenzoate; UV-120; Tinuvin 120; UV ABSORBER-120; 2,4-TERT-BUTYLPHENYL-3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE; Sumisorb 400; 2,4-di-tert-butyl-phenyl 3,5-di-tert-butyl-4-hydroxy-benzoate; 2',4'-di-t.-butylphenyl 3,5-di-t.-butyl-4-hydroxybenzoate; 3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester; DI-TERT-BUTYLPHENYL-3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE; 查看更多英文别名 收起 |
| EINECS: | 224-166-0 |
| Density: | 1.001 g/cm3 |
| Melting Point: | 195-197 °C |
| Boiling Point: | 521.3 °C at 760 mmHg |
| Flash Point: | 191.3 °C |
| Appearance: | White powder |
| PSA: | 46.53000 |
| LogP: | 7.80140 |
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- 96-76-4
2,4-di-tert-Butylphenol
- 2511-22-0
methyl 3,5-di-tert-butyl-4-hydroxybenzoate
- 4221-80-1
3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-di-tert-Butylphenol With sodium methylate at 120℃; under 675.068 Torr; for 10h; Stage #2: methyl 3,5-di-tert-butyl-4-hydroxybenzoate at 150℃; for 5h; Reagent/catalyst; Temperature; Pressure; | 90% |
- 96-76-4
2,4-di-tert-Butylphenol
- 1421-49-4
3,5-Di-tert-butyl-4-hydroxybenzoic acid
- 4221-80-1
3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester
| Conditions | Yield |
|---|---|
| With oxalyl dichloride In toluene at 80 - 120℃; for 2h; Temperature; Solvent; Reagent/catalyst; | 88.1% |
| With trichlorophosphate In 5,5-dimethyl-1,3-cyclohexadiene at 20 - 80℃; for 30h; | 76% |
- 96-76-4
2,4-di-tert-Butylphenol
- 51517-24-9
tert-butyl 3,5-di-tert-butyl-4-hydroxybenzoate
- 4221-80-1
3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-di-tert-Butylphenol With lithium methanolate at 140℃; under 712.571 Torr; for 6h; Stage #2: tert-butyl 3,5-di-tert-butyl-4-hydroxybenzoate at 150℃; for 5h; | 72% |
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Specification
This chemical is called 3,5-Ditert-butyl-4-hydroxy-(2,4-ditert-butylphenyl)benzoate, and its CAS registry number is 4221-80-1. With the molecular formula of C29H42O3, its molecular weight is 438.64. Additionally, its product category is Organics.
Other characteristics of the 3,5-Ditert-butyl-4-hydroxy-(2,4-ditert-butylphenyl)benzoate can be summarised as followings: (1)ACD/LogP: 9.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.98; (4)ACD/LogD (pH 7.4): 9.96; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6378884; (8)ACD/KOC (pH 7.4): 6079172.5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 133.32 cm3; (15)Molar Volume: 438 cm3; (16)Polarizability: 52.85×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 82.45 kJ/mol; (21)Boiling Point: 521.3 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C
2.InChI: InChI=1/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3
3.InChIKey: KJYSXRBJOSZLEL-UHFFFAOYAZ