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CAS No.: | 5904-85-8 |
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Name: | 2-{[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]METHYL}OXIRANE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H26O2 |
Molecular Weight: | 262.392 |
Synonyms: | Oxirane,[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]- (9CI);Propane,1,2-epoxy-3-[p-(1,1,3,3-tetramethylbutyl)phenoxy]- (7CI,8CI); |
Density: | 0.984 g/cm3 |
Boiling Point: | 349 °C at 760 mmHg |
Flash Point: | 121.7 °C |
PSA: | 21.76000 |
LogP: | 4.17800 |
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This chemical is called Oxirane,2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]-, and its systematic name is 2-{[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl}oxirane. With the molecular formula of C17H26O2, its molecular weight is 262.39. The CAS registry number of this chemical is 5904-85-8.
Other characteristics of the Oxirane,2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]- can be summarised as followings: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 21.76 Å2; (7)Index of Refraction: 1.502; (8)Molar Refractivity: 78.65 cm3; (9)Molar Volume: 266.5 cm3; (10)Polarizability: 31.18×10-24cm3; (11)Surface Tension: 33.9 dyne/cm; (12)Density: 0.984 g/cm3; (13)Flash Point: 121.7 °C; (14)Enthalpy of Vaporization: 57 kJ/mol; (15)Boiling Point: 349 °C at 760 mmHg; (16)Vapour Pressure: 9.77E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CC2OC2
2.InChI: InChI=1/C17H26O2/c1-16(2,3)12-17(4,5)13-6-8-14(9-7-13)18-10-15-11-19-15/h6-9,15H,10-12H2,1-5H3
3.InChIKey: ZYUNNPAOYLRRFE-UHFFFAOYAD