3-Phenylpropyl Acetate 3-Phenylpropyl Acetate

Structural formula

Business number	03FE
Molecular formula	C11H14O2
Molecular weight	178.23
label	3-phenylpropyl acetate, Phenylpropyl acetate, 3-Phenylpropyl acetate, 3-phenyl-1-propyl acetate, 3-phenylpropyl acetate, 3-Acetoxypropyl)benzene, 1-Propanol, 3-phenyl-, acetate, 3-Acetoxy-1-phenylpropane, 3-phenyl-1-propanoacetate, Benzenepropanol,acetate, Benzenepropyl acetate, food additives, Flavor enhancer

• 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:122-72-5

MDL number:MFCD00026216

EINECS number:204-569-8

RTECS number:UB9000000

BRN number:None

PubChem number:24901378

Physical property data

1. Density (g/mL ,25℃）：1.012

2. Refractive index (nD20): 1.496

3. Melting point (℃):-60

4. Boiling point (ºC): 252.3

Toxicological data

1, acute toxicity: rat oral LD50: 4700mg/kg

Rabbit skinLD50：>5gm/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 51.47

2. Molar volume（m³/ mol）：175.2

3. isotonic ratio（90.2K）：427.9

4. Surface Tension（dyne/cm）：35.5

5. Dielectric constant:

6. Dipole moment（10 2. Molar volume （m³/mol）：175.2

3. isotonic ratio（90.2K）：427.9

4. Surface Tension（dyne/cm）：35.5

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 20.40

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 148

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

= ST1 />^{– 24}cm³)：

7. Polarizability: 20.40

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 148

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet