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.