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
• 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: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/kg

Ecological 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