1-penten-3-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:616-25-1

MDL number:MFCD00004573

EINECS number:210-472-1

RTECS number:None

BRN number:1736934

PubChem number:24887102

Physical property data

1. Properties: colorless oily liquid

2. Relative density: 0.839

3. Refractive index (nD20): 1.4239

4. Flash point (℃): 25

5. Boiling point (ºC): 114~115

6. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^-1 ): -3150.26

7. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -246.4

8 .         Solubility: Miscible with ethanol and ether, slightly soluble in water.

Toxicological data

None yet

Ecological data

Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

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 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

1. The product may not decompose under normal temperature and pressure.

2. Found in flue-cured tobacco leaves.

Storage method

Seal the secret container and store it in a sealed main container in a cool, dry place.

Synthesis method

Purpose

Organic Synthesis.