3,6-Dimethyl-3,6-octanediol 3,6-Dimethyl-3,6-octanediol
Structural formula
| Business number | 01N9 |
|---|---|
| Molecular formula | C10H22O2 |
| Molecular weight | 174.28 |
| label |
3,6-Dimethyloctan-3,6-diol, Dimethyloctanedioldimeso, 3,6-dimethyloctane-3,6-diol, 3,6-dimethyl-3,6-octanediol |
Numbering system
CAS number:78-65-9
MDL number:MFCD00021827
EINECS number:201-130-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: White solid.
2. Density ( g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,Air=1 ): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure (kPa,60ºC): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 51.37
2. Molar volume (m3/mol）：188.7
3. isotonic specific volume (90.2K):453.6
4. Surface Tension (dyne/cm):33.3
5. Polarizability（10-24cm3):20.36
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 120
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
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
This product should be kept sealed.
Synthesis method
None yet
Purpose
None yet
AN style=”FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>):453.6
4. Surface Tension (dyne/cm):33.3
5. Polarizability（10-24cm3):20.36
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 120
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
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
This product should be kept sealed.
Synthesis method
None yet
Purpose
None yet
