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| CAS No.: | 101-58-6 |
|---|---|
| Name: | bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether |
| Molecular Structure: | |
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| Formula: | C28H42 O |
| Molecular Weight: | 394.641 |
| Synonyms: | Ether,bis[p-(1,1,3,3-tetramethylbutyl)phenyl] (8CI);Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether;Bis[p-(1,1,3,3-tetramethylbutyl)phenyl]ether;Plasticizer 1099; |
| EINECS: | 202-956-6 |
| Density: | 0.927g/cm3 |
| Boiling Point: | 458.3°Cat760mmHg |
| Flash Point: | 231.4°C |
| PSA: | 9.23000 |
| LogP: | 8.90650 |
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Specification
The bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether, with the CAS registry number 101-58-6, is also known as benzene, 1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)- . It belongs to the product organic matters; Pharmaceutical Intermediates . Its EINECS number is 202-956-6.This chemical's molecular formula is C28H42O and molecular weight is 394.63. What's more, Its systematic name is 1,1'-Oxybis[4-(2,4,4-trimethyl-2-pentanyl)benzene].
Physical properties about bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether are:(1)ACD/LogP: 10.797; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.80; (4)ACD/LogD (pH 7.4): 10.80; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 126.465 cm3; (14)Molar Volume: 425.546 cm3; (15)Surface Tension: 30.8540000915527 dyne/cm; (16)Density: 0.927 g/cm3; (17)Flash Point: 231.422 °C; (18)Enthalpy of Vaporization: 69.107 kJ/mol; (19)Boiling Point: 458.339 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.Clc2ccc1Oc4c(/N=C(\c1c2)N3CCN(C)CC3)cccc4;(2)Std. InChI:InChI=1S/C18H18ClN3O.ClH/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;/h2-7,12H,8-11H2,1H3;1H;
(3)Std. InChIKey:JSXBVMKACNEMKY-UHFFFAOYSA-N;