Ethyl 3-phenyloxiranecarboxylate Ethyl 3-phenylglycidate

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:121-39-1

MDL number:MFCD00005123

EINECS number:204-467-3

RTECS number:MB4970000

BRN number:None

PubChem number:24901099

Physical property data

1. Boiling point (ºC): 96

Toxicological data

1, acute toxicity: rat oral LD50: 2300mg/kg

2, mutagenicity: Salmonella mutation testing system: 1g/L

Mouse body deformation test system: 103mg/L

Hamster ovary microbiota mutation analysis test system: 103mg/L

Hamster Mammalian Somatic Mutation Testing System: 103mg/L

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 50.85

2. Molar volume（m³/ mol）：162.5

3. isotonic ratio（90.2K）：416.2

4. Surface Tension（dyne/cm）：42.9

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. 3. isotonic ratio （90.2K）：416.2

4. Surface Tension（dyne/cm）：42.9

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 20.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 38.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 209

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

idi-font-family: Arial”>Polarizability:20.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 38.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 209

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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