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Cas Database |
| Name |
Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- |
EINECS | 428-970-4 |
| CAS No. | 13595-25-0 | Density | 1.107 g/cm3 |
| PSA | 40.46000 | LogP | 5.74960 |
| Solubility | N/A | Melting Point |
135-139 °C (lit.) |
| Formula | C24H26O2 | Boiling Point | 495.9 °C at 760 mmHg |
| Molecular Weight | 346.469 | Flash Point | 220.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Bisphenol M; |
Article Data | 9 |
Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- Synthetic route
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h; | 98% |
- 14508-49-7
2-chloropyrazin
- 13595-25-0
bisphenol M
- 1020725-53-4
1,3-di(2-(4-(2-pyrazinyloxy)phenyl)prop-2-yl)benzene
| Conditions | Yield |
|---|---|
| Stage #1: bisphenol M With potassium carbonate In sulfolane; toluene at 20℃; for 0.75h; Stage #2: 2-chloropyrazin at 80℃; for 48h; Further stages.; | 94% |
| Conditions | Yield |
|---|---|
| With triethylamine; isopropyl alcohol In acetone at -15 - -10℃; for 2.5h; | 93% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 20℃; for 48h; Inert atmosphere; | 91.3% |
- 13595-25-0
bisphenol M
- 6959-48-4
3-chloromethylpyridinium chloride
- 1020725-73-8
1,3-di(2-(4-(3-pyridylmethoxy)phenyl)prop-2-yl)benzene
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h; | 90.4% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h; | 84% |
| Conditions | Yield |
|---|---|
| With TEA; phosphorus trichloride In toluene at 25℃; for 24h; | A n/a B 18% |
| Conditions | Yield |
|---|---|
| With TEA; phosphorus trichloride In toluene at 25℃; for 24h; | A n/a B 18% |
| Conditions | Yield |
|---|---|
| Stage #1: bisphenol M With TEA; phosphorus trichloride In toluene at 25℃; for 24h; Stage #2: With Cumene hydroperoxide In toluene at 20℃; for 1h; | A n/a B 1.37 g |
Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- Specification
The Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis-, with the CAS registry number 13595-25-0, is also known as Bisphenol M. It belongs to the product categories of Color Former & Related Compounds; Developer; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research. This chemical's molecular formula is C24H26O2 and molecular weight is 346.46. What's more, its IUPAC name is 4-[2-[3-[2-(4-Hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties about Phenol, 4, 4'-[1, 3-phenylenebis(1-methylethylidene)]bis- are: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.12; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 26232.26; (6)ACD/BCF (pH 7.4): 26092.19; (7)ACD/KOC (pH 5.5): 50649.99; (8)ACD/KOC (pH 7.4): 50379.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 106.32 cm3; (15)Molar Volume: 312.8 cm3; (16)Polarizability: 42.14×10-24 cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 79.25 kJ/mol; (21)Boiling Point: 495.9 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-10 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)C(c2cccc(c2)C(c3ccc(O)cc3)(C)C)(C)C
(2) InChI: InChI=1/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
(3) InChIKey: PVFQHGDIOXNKIC-UHFFFAOYAG
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