Geranyl Formate Geranyl Formate
Structural formula
| Business number | 02SF |
|---|---|
| Molecular formula | C11H18O2 |
| Molecular weight | 182.26 |
| label |
None yet |
Numbering system
CAS number:105-86-2
MDL number:MFCD00021047
EINECS number:203-339-4
RTECS number:RG5925700
BRN number:None
PubChem number:24900982
Physical property data
1. Properties: colorless to light yellow liquid. It has a scent similar to fresh leaves and roses, and has a bitter taste.
2. Density (g/mL, 25℃): 0.9164
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 216
6. Boiling point (ºC, mmHg): Undetermined
7. Refractive index: 1.460-1.465
8. Flash point (ºC): 95
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V) : Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water. Soluble in oil and alcohol. Dissolve in 80% ethanol 1:3.
Toxicological data
1. Skin/eye irritation: Standard Dresser test: human skin contact, 10mg/48HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 100mg/24HREACTION SEVERITY, mild reaction; 2. Acute toxicity: major Rat oral LD50: >6mg/kg; Rabbit skin contact LD50: >5mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 54.74
2. Molar volume (cm3/mol): 200.6
3. Isotonic specific volume (90.2K ): 465.1
4. Surface tension (dyne/cm): 28.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 21.70
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.5
2.Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 6
5. Mutator variation Number of structures:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 198
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 1
14. The number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
Esterification method is mainly used. It is obtained by using formic acid and geraniol as raw materials, carrying out esterification reaction in the presence of anhydrous calcium chloride, and then neutralizing, washing and drying. It can also be extracted from natural raw materials such as geranium oil and trumpet tea oil.
Purpose
Ester synthetic fragrances. Mainly used as top fragrance for rose, orange blossom, lavender, fougere, geranium, tuberose, citrus cologne and other flavors. Also used in the preparation of artificial rose oil, neroli oil, etc.