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| CAS No.: | 489-01-0 |
|---|---|
| Name: | 2,6-DI-TERT-BUTYL-4-METHOXYPHENOL |
| Molecular Structure: | |
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| Formula: | C15H24O2 |
| Molecular Weight: | 236.354 |
| Synonyms: | 2,6-Di-tert-butyl-4-methoxyphenol;Phenol,2,6-di-tert-butyl-4-methoxy- (6CI,7CI,8CI);2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol;3,5-Di-tert-butyl-4-hydroxyanisole;4-Hydroxy-3,5-di-tert-butylanisole;4-Methoxy-2,6-di-tert-butylphenol;Topanol 354;NSC 14451; |
| EINECS: | 207-693-0 |
| Density: | 0.963 g/cm3 |
| Melting Point: | 102-106 °C(lit.) |
| Boiling Point: | 297.5 °C at 760 mmHg |
| Flash Point: | 78.8 °C |
| Appearance: | White to beige crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.46000 |
| LogP: | 3.99580 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane for 28h; Product distribution; deprotection; | 100% |
- 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol
- 80-48-8
methyl p-toluene sulfonate
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 90 - 100℃; for 1.5h; | 93% |
- 67-56-1
methanol
- 128-39-2
2,6-di-tert-butylphenol
A
- 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone
B
- 1139-52-2
4-bromo-2,6-di-tert-butylphenol
C
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| With bromine; silver perchlorate at 0℃; for 0.05h; | A 2% B 1% C 84% |
- 77074-15-8
4-(1-hydroxypropyl)-4-methoxy-2,6-di-t-butylcyclohexa-2,5-dienone
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| With sulfuric acid for 2h; Ambient temperature; | 76% |
- 950-57-2
4-bromo-2,6-di-tert-butyl-2,5-cyclohexadienone
A
- 128-39-2
2,6-di-tert-butylphenol
B
- 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone
C
- 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone
D
- 40084-31-9
2,6-Di-tert-butyl-4-iodophenol
E
- 1139-52-2
4-bromo-2,6-di-tert-butylphenol
F
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| With iodine In methanol; water at 35℃; for 0.0833333h; Product distribution; | A 5% B 18% C 7% D 1% E 62% F 6% |
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| sodium hydroxide In tetrahydrofuran; methanol | 62% |
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
| Conditions | Yield |
|---|---|
| Stage #1: (2,6-di-tert-butyl-4-methoxy-phenoxy)-acetic acid With diphenyl-phosphinic acid; triethylamine In N,N-dimethyl-formamide; toluene for 3h; Curtius-rearrangement; Heating; Stage #2: With water In N,N-dimethyl-formamide; toluene Heating; Further stages.; | 60% |
- 67-56-1
methanol
- 1620-64-0
ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
A
- 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone
B
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
C
- 81056-45-3
3-tert-Butyl-4,5-dihydroxybenzoesaeure-ethylester
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium perchlorate anodic oxidation; | A 36% B 27% C 24% |
- 1620-64-0
ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
A
- 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone
B
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
C
- 81056-45-3
3-tert-Butyl-4,5-dihydroxybenzoesaeure-ethylester
| Conditions | Yield |
|---|---|
| With methanol; perchloric acid; sodium perchlorate anodic oxidation; | A 36% B 27% C 24% |
- 128-39-2
2,6-di-tert-butylphenol
A
- 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone
B
- 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone
C
- 40084-31-9
2,6-Di-tert-butyl-4-iodophenol
D
- 489-01-0
2,6-Di-t-butyl-4-methoxyphenol
E
- 128-38-1
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; iodine In methanol at 35℃; for 0.25h; Product distribution; Mechanism; other time 6-360 min; | A 3.6% B 2.9% C 6.6% D 5.7% E 2.4% F n/a |
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Specification
The CAS register number of Phenol,2,6-bis(1,1-dimethylethyl)-4-methoxy- is 489-01-0. It also can be called as 2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol and the IUPAC name about this chemical is 2,6-ditert-butyl-4-methoxyphenol. The molecular formula about this chemical is C15H24O2 and the molecular weight is 236.35. It belongs to the following product categories which include Aromatic Ethers; Heterocyclic Compounds and so on.
Physical properties about Phenol,2,6-bis(1,1-dimethylethyl)-4-methoxy- are: (1)ACD/LogP: 4.69; (2)ACD/LogD (pH 5.5): 4.69; (3)ACD/LogD (pH 7.4): 4.69; (4)ACD/BCF (pH 5.5): 2144.57; (5)ACD/BCF (pH 7.4): 2144.57; (6)ACD/KOC (pH 5.5): 8436.66; (7)ACD/KOC (pH 7.4): 8436.64; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 71.58 cm3; (14)Molar Volume: 245.2 cm3; (15)Polarizability: 28.37x10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.963 g/cm3; (18)Flash Point: 78.8 °C; (19)Enthalpy of Vaporization: 55.89 kJ/mol; (20)Boiling Point: 297.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000757 mmHg at 25 °C.
Preparation: this chemical can be prepared by toluene-4-sulfonic acid methyl ester and 2,6-di-tert-butyl-hydroquinone. This reaction will need reagent of 20percent aq. NaOH. The reaction time is 1.5 hours with reaction temperature of 90 - 100 °C. The yield is about 93%.
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Uses of Phenol,2,6-bis(1,1-dimethylethyl)-4-methoxy-: it can be used to produce 2-methoxy-benzoic acid 2,6-di-tert-butyl-4-methoxy-phenyl ester with 2-methoxy-benzoic acid. This reaction will need reagent of trifluoroacetic anhydride. The reaction time is 3 hours with ambient temperature. The yield is about 86%.
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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. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(OC)cc1C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
(3)InChIKey: SLUKQUGVTITNSY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
(5)Std. InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N