Oxirane,2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]- supplier

Name
2-{[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]METHYL}OXIRANE
EINECS
CAS No. 5904-85-8
Article Data2
CAS DataBase
Density 0.984 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆O₂
Boiling Point 349 °C at 760 mmHg
Molecular Weight 262.392
Flash Point 121.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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);
PSA 21.76000
LogP 4.17800

Oxirane,2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]- Specification

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

Product Name

2-{[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]METHYL}OXIRANE

Oxirane,2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]- Specification

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