4-methoxy-4-methyl-2-pentanol
Structural formula
| Business number | 03U7 |
|---|---|
| Molecular formula | C7H16O2 |
| Molecular weight | 132.20 |
| label |
4-Methoxy-4-methylpentan-2-ol, aliphatic compounds |
Numbering system
CAS number:141-73-1
MDL number:MFCD00046654
EINECS number:None
RTECS number:SA7000000
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LDLo: 2 mg/kg;
Mouse Oral LD50: 2650 mg/kgEcological data
3. Ecological data:
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:37.68
2. Molar volume (m3/ mol):148.3
3. Isotonic specific volume (90.2K): 339.5
4. Surface tension (dyne/cm) 27.4
5. Polarizability（10-24cm3):14.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 79
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
Stable under normal temperature and pressure.
Storage method
Stored sealed in a dry and cool place.
Synthesis method
None yet
Purpose
None yet
Arial”>):14.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 79
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
Stable under normal temperature and pressure.
Storage method
Stored sealed in a dry and cool place.
Synthesis method
None yet
Purpose
None yet