1-benzyloxy-2-methoxy-4-(1-propenyl)benzene

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.