CAS No.5613-46-7,2,2-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)PROPANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5613-46-7
Name:	2,2-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)PROPANE
Article Data:	24

Formula:	C₁₉H₂₄O₂
Molecular Weight:	284.398
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;
EINECS:	227-033-5
Density:	1.074 g/cm³
Melting Point:	162-165 °C(lit.)
Boiling Point:	420.6 °C at 760mmHg
Flash Point:	190.2 °C
Solubility:	3.17mg/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	40.46000
LogP:	4.65730

Synthetic route

: 576-26-1
2.6-dimethylphenol

: 67-64-1
acetone

: 5613-46-7
tetramethylbisphenol A

Conditions

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%

: 576-26-1
2.6-dimethylphenol

: 32565-67-6
2-tert.-Butyl-4-isopropenyl-phenol

A: 88-18-6
2-tert-Butylphenol

B: 5613-46-7
tetramethylbisphenol A

C: 19546-24-8
2-tert.-Butyl-2',6'-dimethyl-4,4'-isopropyliden-bisphenol

Conditions

Conditions	Yield
With hydrogenchloride In toluene

...Expand

: 92545-08-9
2,6-xylenol sulfate

: 5613-46-7
tetramethylbisphenol A

Conditions

Conditions	Yield
With acetone; 1-dodecylthiol at 30℃; for 1h;

: 5613-46-7
tetramethylbisphenol A

: 106-89-8
epichlorohydrin

: 2,2'-(4,4'-(propane-2,2-diyl)bis(2,6-dimethyl-4,1-phenylene))-bis(oxy)bis(methylene)dioxirane

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium hydroxide at 20℃; for 12h;	95%

: 383-29-9
bis(p-fluorophenyl)sulfone

: 5613-46-7
tetramethylbisphenol A

: C205H204O26S6

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide; toluene at 150 - 170℃; Inert atmosphere; Dean-Stark;	92.3%

: 5613-46-7
tetramethylbisphenol A

: 35948-25-5
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide

: 1573113-21-9
C23H23O3P

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 140℃; for 12h;	92%

: 5613-46-7
tetramethylbisphenol A

: 146137-74-8
2-fluoro-6-methoxybenzaldehyde

: 1221407-35-7
C35H36O6

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 140℃; for 3h;	91%

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

: 5613-46-7
tetramethylbisphenol A

: 3,3',5,5'-tetramethyl-2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl]propane

Conditions

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%

: 5613-46-7
tetramethylbisphenol A

: (S)-(1,1'-binaphthyl-2,2'-dioxy)chlorophosphine

: C59H46O6P2

Conditions

Conditions	Yield
With triethylamine In toluene at -40 - 20℃; for 18h;	87%

: 5613-46-7
tetramethylbisphenol A

: C19H22Cl4O2P2

Conditions

Conditions	Yield
With triethylamine; phosphorus trichloride In toluene at -40 - 20℃; for 18h;	86%

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Specification

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