Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl- |
EINECS | 227-033-5 |
CAS No. | 5613-46-7 | Density | 1.074 g/cm3 |
PSA | 40.46000 | LogP | 4.65730 |
Solubility | 3.17mg/L at 20℃ | Melting Point |
162-165 °C(lit.) |
Formula | C19H24O2 | Boiling Point | 420.6 °C at 760mmHg |
Molecular Weight | 284.398 | Flash Point | 190.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,6-Xylenol,4,4'-isopropylidenedi- (7CI,8CI);2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane;2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane;3,3',5,5'-Tetramethyl-4,4'-dihydroxydiphenyl-2,2-propane;4,4'-Isopropylidenebis(2,6-dimethylphenol);4,4'-Isopropylidenedi-2,6-xylenol;Bisxylenol A;NSC 73730;Tetramethylbisphenol A; |
Article Data | 24 |
Conditions | Yield |
---|---|
With sulfuric acid In Petroleum ether at 27℃; for 3.75h; | 94% |
With silica supported perchloric acid In neat (no solvent) for 5.25h; Heating; Green chemistry; | 94% |
With para-dodecylbenzenesulfonic acid; 3-mercaptopropionic acid at 42 - 75℃; Temperature; | 81% |
2.6-dimethylphenol
2-tert.-Butyl-4-isopropenyl-phenol
A
2-tert-Butylphenol
B
tetramethylbisphenol A
C
2-tert.-Butyl-2',6'-dimethyl-4,4'-isopropyliden-bisphenol
Conditions | Yield |
---|---|
With hydrogenchloride In toluene |
2,6-xylenol sulfate
tetramethylbisphenol A
Conditions | Yield |
---|---|
With acetone; 1-dodecylthiol at 30℃; for 1h; |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium hydroxide at 20℃; for 12h; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl acetamide; toluene at 150 - 170℃; Inert atmosphere; Dean-Stark; | 92.3% |
tetramethylbisphenol A
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
C23H23O3P
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 140℃; for 12h; | 92% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 140℃; for 3h; | 91% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 8h; Heating / reflux; | 88% |
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 160℃; for 8h; | 73% |
Conditions | Yield |
---|---|
With triethylamine In toluene at -40 - 20℃; for 18h; | 87% |
tetramethylbisphenol A
Conditions | Yield |
---|---|
With triethylamine; phosphorus trichloride In toluene at -40 - 20℃; for 18h; | 86% |
The IUPAC name of Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl- is 4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol. With the CAS registry number 5613-46-7, it is also named as 4,4'-Isopropylidenedi-2,6-xylol. The product's categories are Bisphenol A Type Compounds (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. It is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5975.88; (6)ACD/BCF (pH 7.4): 5969.22; (7)ACD/KOC (pH 5.5): 17568.66; (8)ACD/KOC (pH 7.4): 17549.07; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 87.46 cm3; (14)Molar Volume: 264.6 cm3; (15)Polarizability: 34.67×10-24 cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Enthalpy of Vaporization: 70.07 kJ/mol; (18)Vapour Pressure: 1.13E-07 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 284.17763; (22)MonoIsotopic Mass: 284.17763; (23)Topological Polar Surface Area: 40.5; (24)Heavy Atom Count: 21; (25)Complexity: 296.
Uses of Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl-: It can react with tetrafluoroethylene to get C23H24F8O2. This reaction needs reagent KOH and solvent dimethylsulfoxide at temperature of 60 °C. The reaction time is 5 hours. The yield is 46%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Oc1c(cc(cc1C)C(c2cc(c(O)c(c2)C)C)(C)C)C
2. InChI:InChI=1/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
3. InChIKey:ODJUOZPKKHIEOZ-UHFFFAOYAN