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CAS No.: | 901-44-0 |
---|---|
Name: | 4,4'-ISOPROPYLIDENEBIS(2-PHENOXYETHANOL) |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C19H24O4 |
Molecular Weight: | 316.397 |
Synonyms: | Ethanol,2,2'-[isopropylidenebis(p-phenyleneoxy)]di- (6CI,7CI,8CI);1,1'-Isopropylidenebis(p-phenyleneoxy-2-ethanol);2,2-Bis(4-b-hydroxyethoxyphenyl)propane;2,2-Bis[4-(2-hydroxyethoxy)phenyl]propane;2,2-Bis[p-(2-hydroxyethoxy)phenyl]propane;2,2-Bis[p-(b-hydroxyethoxy)phenyl]propane;2,2'-[Isopropylidenebis(p-phenyleneoxy)]diethanol;4,4'-Bis(hydroxyethoxy)diphenyldimethylmethane;4,4'-Bis(hydroxyethyl)bisphenol A;AE 2;AE 2 (diol);Dianol 22;Koremul BSA 20;NSC 60933;Newpol BPE 20;Newpol BPE 20T;Simulsol BPLE;SINOPOL BA3;Ethoxylated Bis phenol A;Ethoxylated Bisphenol A; |
EINECS: | 212-985-6 |
Density: | 1.135 g/cm3 |
Melting Point: | 112℃ |
Boiling Point: | 494.958 °C at 760 mmHg |
Flash Point: | 253.142 °C |
Solubility: | 111.8mg/L |
PSA: | 58.92000 |
LogP: | 2.75470 |
Conditions | Yield |
---|---|
at 150℃; for 8h; Inert atmosphere; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 145℃; for 3h; | 65% |
With tetraethylammonium iodide | |
With triethylamine at 105℃; for 24h; |
oxirane
BPA
A
4-(2-(4-(2-hydroxyethoxy)phenyl)propan-2-yl)phenol
B
dyanol 22
Conditions | Yield |
---|---|
triethylamine In acetone at 130℃; for 0.416667h; Thermodynamic data; Kinetics; Product distribution; other time, other temperature, activation energy; | A 97% B n/a |
Conditions | Yield |
---|---|
triethylamine In acetone at 130℃; for 0.416667h; | 97% |
Conditions | Yield |
---|---|
Stage #1: BPA; ethylene glycol; sodium carbonate at 100℃; Stage #2: With urea; zinc(II) oxide at 175℃; for 2h; Product distribution / selectivity; | 88% |
With sodium carbonate; urea; zinc(II) oxide at 170 - 190℃; | 83% |
oxirane
BPA
A
BPA-3EO
B
4-(2-(4-(2-hydroxyethoxy)phenyl)propan-2-yl)phenol
C
dyanol 22
Conditions | Yield |
---|---|
anion exchange resin A (Cl-type) In methanol at 100℃; for 9h; | A 1 %Chromat. B 0.1 %Chromat. C 70% |
anion exchange resin A (Cl-type) at 100℃; for 9h; | A 2.6 %Chromat. B 0.3 %Chromat. C 97.1 %Chromat. |
Conditions | Yield |
---|---|
With sodium hydroxide at 0 - 20℃; for 45h; Addition; | 65% |
With sodium hydroxide; ethanol | |
With sodium hydroxide; ethanol |
Conditions | Yield |
---|---|
With potassium iodide |
BPA
4-(2-(4-(2-hydroxyethoxy)phenyl)propan-2-yl)phenol
ethylene glycol
dyanol 22
Conditions | Yield |
---|---|
With urea; zinc(II) oxide at 180℃; for 2h; Product distribution / selectivity; |
ethylene glycol
A
BPA
B
4-(2-(4-(2-hydroxyethoxy)phenyl)propan-2-yl)phenol
C
dyanol 22
Conditions | Yield |
---|---|
sodium carbonate at 180℃; for 0.333333h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
In melt at 150 - 180℃; for 10h; Inert atmosphere; | 99% |
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The Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-, with the CAS registry number 901-44-0, is also known as 2,2'-[2,2-Propanediylbis(4,1-phenyleneoxy)]diethanol. Its EINECS registry number is 212-985-6. This chemical's molecular formula is C19H24O4 and molecular weight is 316.39. What's more, its IUPAC name is called 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.
Physical properties about Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- are: (1)ACD/LogP: 3.264; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 178.07; (6)ACD/BCF (pH 7.4): 178.07; (7)ACD/KOC (pH 5.5): 1420.95; (8)ACD/KOC (pH 7.4): 1420.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 58.92 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 90.098 cm3; (15)Molar Volume: 278.736 cm3; (16)Surface Tension: 43.57 dyne/cm; (17)Density: 1.135 g/cm3; (18)Flash Point: 253.142 °C; (19)Enthalpy of Vaporization: 80.293 kJ/mol; (20)Boiling Point: 494.958 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(c2ccc(OCCO)cc2)(C)C)CCO
(2) InChI: InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3
(3) InChIKey: UUAGPGQUHZVJBQ-UHFFFAOYSA-N