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| CAS No.: | 68784-69-0 |
|---|---|
| Name: | AGERITE GELTROL |
| Molecular Structure: | |
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| Formula: | C27H32O2 |
| Molecular Weight: | 388.54 |
| Synonyms: | Polybutylated bisphenol A;4,4-(1-Methylethylidene)bisphenol,2-methyl-1-propene, ethenylbenzene reaction product;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-1-ene; styrene; |
| EINECS: | 272-267-3 |
| Boiling Point: | 400.8 °C at 760 mmHg |
| Flash Point: | 192.4 °C |
| PSA: | 40.46000 |
| LogP: | 7.33570 |
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called Phenol, 4,4-(1-methylethylidene)bis-, reaction products with isobutylene and styrene, and its systematic name is 4-[1-(4-Hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-1-ene; styrene. With the molecular formula of C27H32O2, its molecular weight is 388.54. The CAS registry number of the chemical is 68784-69-0.
Other characteristics of Phenol, 4,4-(1-methylethylidene)bis-, reaction products with isobutylene and styrene can be summarised as followings: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.64; (6)ACD/BCF (pH 7.4): 237.55; (7)ACD/KOC (pH 5.5): 1752.23; (8)ACD/KOC (pH 7.4): 1744.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 192.4 °C; (14)Enthalpy of Vaporization: 67.72 kJ/mol; (15)Boiling Point: 400.8 °C at 760 mmHg; (16)Vapour Pressure: 5.34E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C.C=C(\C)C.C=C\c1ccccc1
2.InChI: InChI=1/C15H16O2.C8H8.C4H8/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-8-6-4-3-5-7-8;1-4(2)3/h3-10,16-17H,1-2H3;2-7H,1H2;1H2,2-3H3
3.InChIKey: JHHQCTMGNOWHBB-UHFFFAOYAD
4.Std. InChI: InChI=1S/C15H16O2.C8H8.C4H8/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-8-6-4-3-5-7-8;1-4(2)3/h3-10,16-17H,1-2H3;2-7H,1H2;1H2,2-3H3
5.Std. InChIKey: JHHQCTMGNOWHBB-UHFFFAOYSA-N