Isoamyl benzyl ether Isoamyl benzyl ether

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:122-73-6

MDL number:MFCD00048371

EINECS number:204-570-3

RTECS number:KM9620000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless and transparent liquid. It has a strong fruity and honey-sweet aroma, with a slight fragrance, and has a gardenia-like aroma after dilution. The coordination with linalyl ether and rose ether tycoyl esters in gardenia essential oil shows the characteristics of sweet flower fragrance and sweet fruity fragrance.

2. Boiling point (℃): 237

3. Relative density (20℃, 4℃): 0.9098

4. Relative density (25℃, 4℃): 0.9048

5. Refractive index at room temperature (n²⁰): 1.4792

6. Refractive index at room temperature (n²⁵ sup>): 1.4772

Toxicological data

1. Skin/eye irritation: Rabbit skin standard Drez eye dye test: 500mg/24H has a slight impact on the eyes.

2. Acute toxicity: oral LD50mg/kg in rats

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 56.03

2. Molar volume (cm³/mol): 195.0

3. Isotonic specific volume (90.2K ): 460.0

4. Surface tension (dyne/cm): 30.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 22.21

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 114

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

Colorless transparent liquid. It has a strong fruity and honey-sweet aroma, with a slight fragrance, and has a gardenia-like aroma after dilution. With linalyl in gardenia essential oil, rose �The coordination of the acid esters shows the characteristics of sweet floral fragrance and sweet fruity fragrance.

Storage method

Store in a cool, dark and ventilated place.

Synthesis method

1.The product is obtained by reacting benzyl chloride with sodium isopentoxide.

Purpose

1. Used for the preparation of gardenia-flavored and related floral-flavored essences such as honeysuckle and moonflower fragrance. The chemical properties are stable and suitable for the application of soap essence and perfume. The raw materials and synthesis conditions are conventional and classic, so this product has been widely used in the 1930s.

2.Used to prepare gardenia fragrance and related floral fragrances such as honeysuckle and moonflower. Suitable for soap essence and perfume applications.