Structural formula
| Business number | 03BP |
|---|---|
| Molecular formula | C17H18O2 |
| Molecular weight | 254.32 |
| label |
Isoeugenol benzyl ether; 4-propenyl-2-methoxyphenyl benzyl ether, Isoeugenol benzyl ether, 4-allyl-2-methoxy-phenyl benzyl ether, artificial flavors |
Numbering system
CAS number:120-11-6
MDL number:MFCD00026985
EINECS number:204-370-6
RTECS number:CY8225000
BRN number:None
PubChem number:24860569
Physical property data
1. Properties: white to light yellow crystals.
2. Melting point (℃): 58
3. Boiling point (℃, normal pressure): 282
Toxicological data
1. Irritation: Rabbit percutaneous standard Drez test: 500mg/24H Mild irritation
2. Acute toxicity: Rat oral LD50: 4900mg/kg
3. Other multiple dose toxicity: Rat oral TDLO: 3360mg/kg/28D-I
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 79.98
2. Molar volume (cm3/mol): 239.1
3. Isotonic specific volume (90.2K): 595.7
4. Surface tension (dyne/cm): 38.5
5. Polarizability (10-24cm3): 31.70
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 4.1
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:
6. Topological molecular polar surface area (TPSA): 18.5
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 268
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 Number: 1
14. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
White to ivory yellow crystalline powder with a soft balsamic aroma. Soluble in ethanol, ether and non-volatile oils, almost insoluble in propylene glycol, glycerol and water.
Storage method
None
Synthesis method
Save in a ventilated, low-temperature and dry place.
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It is a fixative for preparing carnation, violet and lilac essences. Suitable for cosmetics and soap fragrances.
