4-Penten-2-ol

Structural formula

• 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:625-31-0

MDL number:MFCD00004556

EINECS number:210-887-8

RTECS number:None

BRN number:1839744

PubChem number:24887107

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.837

3. Relative density (20℃, 4℃): 0.8367

4 . Refractive index at room temperature (n²⁰): 1.4225

5. Boiling point (ºC, normal pressure): 115

6. Boiling point (ºC, 5.2kPa ): Undetermined

7. Refractive index: 1.424

8. Flash point (ºC): 25

9. Specific rotation (º): Unknown Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Miscible with water.

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: 26.43

2. Molar volume (cm³/mol): 104.0

3. Isotonic specific volume (90.2K ): 234.1

4. Surface tension (dyne/cm): 25.6

5. Polarizability (10^-24cm³): 10.47

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

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: 6

8. Surface charge: 0

9. Complexity: 41.2

10. Number of isotope atoms: 0

11. Determine the originalThe number of substereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. The number of determined chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The 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

Purpose

None yet