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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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