2-(allyloxy)ethanol 2-(Allyloxy)ethanol

Structural formula

Business number	033K
Molecular formula	C5H10O2
Molecular weight	102.13
label	Monopropylene glycol, Ethylene glycol monopropenyl ether, 2-(2-propyleneoxy)ethanol, Ethylene glycol monoallyl ether, Allyl Hydroxyethyl Ether, Allyl glycol, 2-Allyloxyethanol, 2-(2-Propenyloxy)-ethano, Ethylene glycol allyl ether, linear compound

• 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:111-45-5

MDL number:MFCD00020607

EINECS number:203-871-7

RTECS number:KJ5425000

BRN number:None

PubChem number:24871224

Physical property data

1. Character: Undetermined

2. Density (g/mL,20℃):0.95

3. Relative vapor density (g/mL,Air =1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure):159

6. Boiling point (ºC,kPa): Undetermined

7. Refractive index:1.436

8. Flashpoint (ºC):150

9. Specific optical rotation (º): Undetermined

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Water) partition coefficient0″ align=left>Mouse gastrointestinal administrationLDLO:2gm/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.53

2. Molar volume (m³/mol）：123.9

3. isotonic specific volume (90.2K):240.2

4. Surface Tension (dyne/cm):25.94

5. Polarizability（10^-24cm³):12.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 43.3

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

None

Storage method

None

Synthesis method

None

Purpose

None

ont-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman’; mso-bidi-font-family: Arial”>（10^-24cm³）：12.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 43.3

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

None

Storage method

None

Synthesis method

None

Purpose

None