Isoamyl benzyl ether Isoamyl benzyl ether
Structural formula
| Business number | 03FF |
|---|---|
| Molecular formula | C12H18O |
| Molecular weight | 178.27 |
| label |
[(3-methylbutoxy)methyl]benzene, Benzyl Isoamyl Ether, Isoamyl benzyl ether, [(3-methylbutoxy) methyl] benzene, Benzyl isoamyl ether, Isoamyl benzyl ether, artificial flavors |
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.
