2,6-Bis(hydroxymethyl)p-cresol
Structural formula
| Business number | 0231 |
|---|---|
| Molecular formula | C9H12O3 |
| Molecular weight | 168.19 |
| label |
2-Hydroxy-5-methyl-1,3-benzenedimethanol, 2-Hydroxy-5-methylisophthalol, 2,6-Bis(hydroxymethyl)-4-cresol, 2-Hydroxy-5-methyl-1,3-benzenedimethanol, 2,6-di(hydroxymethyl)-4-methylphenol, CH3C6H2(CH2OH)2OH |
Numbering system
CAS number:91-04-3
MDL number:MFCD00004619
EINECS number:202-036-4
RTECS number:CZ6440000
BRN number:1240237
PubChem number:24853637
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 45.86
2. Molar volume (cm3/mol): 131.7
3. Isotonic specific volume (90.2K ): 367.0
4. Surface tension (dyne/cm): 60.1
5. Polarizability (10-24cm3): 18.18
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.7
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA): 60.7
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7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 124
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 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