Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl- supplier

Name
2,2-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)PROPANE
EINECS 227-033-5
CAS No. 5613-46-7
Article Data24
CAS DataBase
Density 1.074 g/cm³
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
Appearance
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;
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%

: 5613-46-7
tetramethylbisphenol A

: 108-24-7
acetic anhydride

: 5769-93-7
4-[1-(4-acetoxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenyl ester

Conditions

Conditions	Yield
With sodium periodate at 75℃; for 4h;	84%
With sodium periodate at 75℃; for 4.25h;	84%

: 5613-46-7
tetramethylbisphenol A

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

: C43H38O6P2

Conditions

Conditions	Yield
Stage #1: tetramethylbisphenol A With dmap; N-ethyl-N,N-diisopropylamine In tetrachloromethane; acetonitrile at -10℃; for 0.25h; Atherton-Todd Synthesis; Inert atmosphere; Stage #2: 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide In tetrachloromethane; acetonitrile at -10 - 20℃; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	83%

: 5613-46-7
tetramethylbisphenol A

: 546-67-8
lead(IV) tetraacetate

: 1614247-80-1
C23H28O6

Conditions

Conditions	Yield
In ethyl acetate at 27℃; for 0.783333h;	78%

: 116-14-3
polytetrafluoroethylene

: 5613-46-7
tetramethylbisphenol A

: C23H24F8O2

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 60℃; for 5h; Addition;	46%

: 5613-46-7
tetramethylbisphenol A

: 4,4'‐(propane‐2,2‐diyl)bis(6‐hydroxy‐2,6‐dimethylcyclohexa‐2,4‐dienone)

Conditions

Conditions	Yield
With Oxone; sodium hydrogencarbonate In water; acetone at 20℃; for 1h;	43%

: 934559-03-2
N1,N3-bis{(S)-2-[4-(5-bromopentyloxy)phenyl]-1-(chloromethyl)ethyl}-2,2-diethylmalonamide

: 5613-46-7
tetramethylbisphenol A

: (14S,34S)-2,2-diethyl-132,136,14,14,153,155-hexamethyl-14,15,34,35-tetrahydro-6,12,16,22-tetraoxa-1,3(2,4)-bis(1,3-oxazola)-5,13,15,23(1,4)-tetrabenzenacyclotetracosaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	41%

: 934559-01-0
N1,N3-bis{(S)-2-[4-(3-bromopropoxy)phenyl]-1-(chloromethyl)ethyl}-2,2-diethylmalonamide

: 5613-46-7
tetramethylbisphenol A

: (14S,34S)-2,2-diethyl-112,116,12,12,133,135-hexamethyl-14,15,34,35-tetrahydro-6,10,14,18-tetraoxa-1,3(2,4)-bis(1,3-oxazola)-5,11,13,19(1,4)-tetrabenzenacycloicosaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	40%

: 5613-46-7
tetramethylbisphenol A

: 317373-84-5
N1,N3-bis{(R)-1-[4-(4-bromobutoxy)phenyl]-2-chloroethyl}-2,2-dithylmalonamide

: (14R,194R)-20,20-diethyl-92,96,10,10,113,115-hexamethyl-14,15,194,195-tetrahydro-3,8,12,17-tetraoxa-1,19(2,4)-bis(1,3-oxazola)-2,9,13,18(1,4)-tetrabenzenacycloicosaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	40%

: 934559-00-9
N1,N3-bis{(S)-2-[4-(2-bromoetoxy)phenyl]-1-(chloromethyl)ethyl}-2,2-diethylmalonamide

: 5613-46-7
tetramethylbisphenol A

: (14S,34S)-2,2-diethyl-102,106,11,11,123,125-hexamethyl-14,15,34,35-tetrahydro-6,9,13,16-tetraoxa-1,3(2,4)-bis(1,3-oxazola)-5,10,12,17(1,4)-tetrabenzenacyclooctadecaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	38%

: 934559-02-1
N1,N3-bis{(S)-2-[4-(4-bromobutoxy)phenyl]-1-(chloromethyl)ethyl}-2,2-diethylmalonamide

: 5613-46-7
tetramethylbisphenol A

: (14S,34S)-2,2-diethyl-122,126,13,13,143,145-hexamethyl-14,15,34,35-tetrahydro-6,11,15,20-tetraoxa-1,3(2,4)-bis(1,3-oxazola)-5,12,14,21(1,4)-tetrabenzenacyclodocosaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	37%

: 5613-46-7
tetramethylbisphenol A

: 317373-83-4
N1,N3-bis{(R)-1-[4-(3-bromopropoxy)phenyl]-2-chloroethyl}-2,2-dithylmalonamide

: (14R,174R)-18,18-diethyl-82,86,9,9,103,105-hexamethyl-14,15,174,175-tetrahydro-3,7,11,15-tetraoxa-1,17(2,4)-bis(1,3-oxazola)-2,8,11,16(1,4)-tetrabenzenacyclooctadecaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	32%

: 5613-46-7
tetramethylbisphenol A

: 317373-85-6
N1,N3-bis{(R)-1-[4-(5-bromopentyloxy)phenyl]-2-chloroethyl}-2,2-dithylmalonamide

: (14R,214R)-22,22-diethyl-102,106,11,11,123,125-hexamethyl-14,15,214,215-tetrahydro-3,9,13,19-tetraoxa-1,21(2,4)-bis(1,3-oxazola)-2,10,15,20(1,4)-tetrabenzenacyclodocosaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	32%

: 14804-38-7
5-bromo-2-methoxy-1,3-dimethylbenzene

: 5613-46-7
tetramethylbisphenol A

: C37H44O4

Conditions

Conditions	Yield
With pyridine; potassium carbonate; copper(I) bromide In N,N-dimethyl-formamide at 165℃; for 168h; Inert atmosphere;	30.9%

: 5613-46-7
tetramethylbisphenol A

: 317373-82-3
N1,N3-bis{(R)-1-[4-(2-bromoethoxy)phenyl]-2-chloroethyl}-2,2-dithylmalonamide

: (14R,154R)-16,16-diethyl-72,76,8,8,93,95-hexamethyl-14,15,154,155-tetrahydro-3,6,10,13-tetraoxa-1,15(2,4)-bis(1,3-oxazola)-2,7,9,14(1,4)-tetrabenzenacyclohexadecaphane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 18h; Heating;	14%

: 5613-46-7
tetramethylbisphenol A

: 32565-69-8
2.6-Dimethyl-4-isopropenyl-phenol

Conditions

Conditions	Yield
With sodium (heating);

: 80-05-7
BPA

: 75-09-2
dichloromethane

: 5613-46-7
tetramethylbisphenol A

bisphenol A-copolyformal, Mw (1E3 g/mol) = 118, Mn (1E3 g/mol) = 61; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A: bisphenol A-copolyformal, Mw (1E3 g/mol) = 118, Mn (1E3 g/mol) = 61; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A

Conditions

Conditions	Yield
With N-Methylpyrrole; potassium hydroxide at 75℃; for 4h;

...Expand

: 80-05-7
BPA

: 75-09-2
dichloromethane

: 5613-46-7
tetramethylbisphenol A

bisphenol A-copolyformal, Mw (1E3 g/mol) = 380, Mn (1E3 g/mol) = 188; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A: bisphenol A-copolyformal, Mw (1E3 g/mol) = 380, Mn (1E3 g/mol) = 188; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A

Conditions

Conditions	Yield
With N-Methylpyrrole; potassium hydroxide at 75℃; for 1.58333h;

...Expand

: 80-05-7
BPA

: 75-09-2
dichloromethane

: 5613-46-7
tetramethylbisphenol A

bisphenol A-copolyformal, Mw (1E3 g/mol) = 612, Mn (1E3 g/mol) = 240; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A: bisphenol A-copolyformal, Mw (1E3 g/mol) = 612, Mn (1E3 g/mol) = 240; monomer(s): methylene chloride; tetramethylbisphenol A; bisphenol A

Conditions

Conditions	Yield
With N-Methylpyrrole; potassium hydroxide at 75℃; for 3h;

...Expand

: 75-09-2
dichloromethane

: 5613-46-7
tetramethylbisphenol A

bisphenol A-polyformal, Mw (1E3 g/mol) = 100, Mn (1E3 g/mol) = 18; monomer(s): methylene chloride; tetramethylbisphenol A: bisphenol A-polyformal, Mw (1E3 g/mol) = 100, Mn (1E3 g/mol) = 18; monomer(s): methylene chloride; tetramethylbisphenol A

Conditions

Conditions	Yield
With N-Methylpyrrole; potassium hydroxide at 75℃; for 4h;

Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl- 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

Product Name

2,2-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)PROPANE

Synthetic route

Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl- Specification

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