2-sec-butylphenol
Structural formula
| Business number | 0217 |
|---|---|
| Molecular formula | C10H14O |
| Molecular weight | 150 |
| label |
o-Sec-butylphenol, 2-(1-Methylpropyl)phenol |
Numbering system
CAS number:89-72-5
MDL number:MFCD00002225
EINECS number:201-933-8
RTECS number:SJ8920000
BRN number:1210026
PubChem number:24892163
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.95
2. Molar volume (cm3/mol): 154.4
3. Isotonic specific volume (90.2K ): 377.1
4. Surface tension (dyne/cm): 35.5
5. Polarizability (10-24cm3): 18.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 111
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Storage method
None
Synthesis method
None
Purpose
None
