Toluene diisocyanate manufacturer Knowledge 3-Phenylpropyl Acetate 3-Phenylpropyl Acetate

3-Phenylpropyl Acetate 3-Phenylpropyl Acetate

3-phenylpropyl acetate structural formula

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

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 volumem3/ mol175.2


3. isotonic ratio90.2K427.9


4. Surface Tensiondyne/cm35.5


5. Dielectric constant:


6. Dipole moment10 2. Molar volume m3/mol175.2


3. isotonic ratio90.2K427.9


4. Surface Tensiondyne/cm35.5


5. Dielectric constant:


6. Dipole moment10 -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 />– 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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/25728

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