2,4-dimethyl-2-pentanol structural formula

2,4-dimethyl-2-pentanol structural formula

Structural formula

Business number 06RM
Molecular formula C7H16O
Molecular weight 116.20

dimethyl isobutyl carbinol,


Dimethyl isobutylcarbinol,


Numbering system

CAS number:625-06-9

MDL number:MFCD00021811

EINECS number:210-877-3

RTECS number:None

BRN number:1731623

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.808

3. Relative density (20℃, 4℃): 0.812

4 . Refractive index at room temperature (n25): 1.415

5. Boiling point (ºC, normal pressure): 133

6. Refractive index at room temperature (n20): 1.417

7. Refractive index: 1.4170

8. Flash point (ºC): 32

9. Specific rotation Degree (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC) : Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 35.93

2. Molar volume (cm3/mol): 142.0

3. Isotonic specific volume (90.2K ): 319.8

4. Surface tension (dyne/cm): 25.7

5. Polarizability (10-24cm3): 14.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7.Number of heavy atoms���: 8

8. Surface charge: 0

9. Complexity: 64.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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