Structural formula
| Business number | 027C |
|---|---|
| Molecular formula | C14H12O3 |
| Molecular weight | 228.24 |
| label | Benzylparaben, Benzylparaben, Phenylmethyl 4-Hydroxybenzoate, Benzyl ortho-hydroxybenzoate, Benzyl 4-Hydroxybenzoate, 4-Hydroxy-benzoicaciphenylmethylester |
Numbering system
CAS number:94-18-8
MDL number:MFCD00016471
EINECS number:202-311-9
RTECS number:DH2691000
BRN number:2115995
PubChem number:24878916
Physical property data
1. Character:White powder.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):110～112
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Easily soluble in ethanol, soluble in ether, insoluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index:64.39
2. Molar volume (m3/mol):186.4
3. Isotonic specific volume (90.2K): 499.2
4. Surface tension (dyne/cm): 51.4
5. Polarizability（10-24cm3):25.52
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: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 238
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
This product should be kept sealed.
Synthesis method
None yet
Purpose
Fragrance synthesis.
t-family: Arial; mso-bidi-font-family: Arial">Surface tension (dyne/cm):51.45. Polarizability（10-24cm3):25.52
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: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 238
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
This product should be kept sealed.
Synthesis method
None yet
Purpose
Fragrance synthesis.
微信扫一扫打赏
