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.

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It is a fixative for preparing carnation, violet and lilac essences. Suitable for cosmetics and soap fragrances.