1-benzyloxy-2-methoxy-4-(1-propenyl)benzene
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.
���路
it is a fixative for preparing carnation, violet and lilac essences. suitable for cosmetics and soap fragrances.
