3,5-di-tert-butyl-4-hydroxybenzyl alcohol
Structural formula
| Business number | 01ZC |
|---|---|
| Molecular formula | C15H24O2 |
| Molecular weight | 236.35 |
| label |
3,5-di-tert-butyl-4-hydroxybenzyl alcohol, HOC6H2[C(CH3)3]2CH2OH |
Numbering system
CAS number:88-26-6
MDL number:MFCD00017254
EINECS number:201-815-6
RTECS number:DO0750000
BRN number:2052291
PubChem number:24868276
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 71.36
2. Molar volume (cm3/mol): 235.0
3. Isotonic specific volume (90.2K ): 571.9
4. Surface tension (dyne/cm): 35.0
5. Polarizability (10-24cm3): 28.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 223
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
