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
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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
