4-allylanisole 4-allylanisole
structural formula
| business number | 03t7 |
|---|---|
| molecular formula | c10h12o |
| molecular weight | 148.20 |
| label |
1-methoxy-4-(2-propenyl)benzene, p-allyl anisole, 4-allylanisole, 3-(p-methoxyphenyl)propene, p-allylanisole, o-methylchavicol, 1-methoxy-4-(2-propenyl)-benzen, estragole, food additives, flavor enhancer |
numbering system
cas number:140-67-0
mdl number:mfcd00008653
einecs number:205-427-8
rtecs number:bz8225000
brn number:1099454
pubchem number:24845877
physical property data
1. physical property data
1. properties: colorless liquid with anise and grass aroma.
2. density (g/ml, 25/4℃): 0.965
3. refractive index(n20 d): 1.5195
4. flash point (ºc): 81
5. boiling point (ºc, normal pressure): 216, 102ºc (2133pa)
6. solubility: soluble in ethanol and chloroform, insoluble in water
7. relative density (20℃, 4℃): 0.9612
8. liquid phase standard hot melt (j·mol-1·k-1): 353.5
toxicological data
2. toxicological data:
1. acute toxicity: rat oral ld50: 1230 mg/kg;
rat intraperitoneal ld50: 1030 mg/kg;
the mouse is ld50: 1250 mg/kg;
rabbit skin ld50:> 5 mg/kg;
mouse abdominal cavity ld50: 1260 mg/kg .
2. chronic toxicity/carcinogenicity
mouse oral tdlo: 97 gm/kg/1y-c;
mouse intraperitoneal tdlo: 111 mg /kg;
mouse subcutaneous tdlo: 140 mg/kg/22d-i
mouse oral td: 195 gm/kg/1y-c
3. teratogenicity
rat oral: 2 gm/kg
mouse abdominal cavity: 80mg/kg
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index: 46.83
2. molar volume (cm3/mol): 157.8
3 , isotonic specific volume (90.2k):369.3
4. surface tension (dyne/cm): 29.9
5. polarizability (10-24cm3): 18.56
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: 1
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 9.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 112
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
1. stable under normal temperature and pressure.
2. harmful if taken orally, irritating to eyes, respiratory system and skin.
3. found in flue-cured tobacco leaves.
4. naturally found in turpentine, various basil oils and tarragon oils.
storage method
store sealed in a dry and cool place.
synthesis method
1. obtained from the fractionation of turpentine or tarragon oil.
2. obtained from the reaction of allyl bromide and magnesium p-methoxyphenol.
purpose
1. spices. mainly used for preparing spices, beer flavors and seasonings. used in baked goods, alcoholic and non-alcoholic beverages, gums, candies, preserves, ice cream, fish, salads, sauces, vinegar, etc.
