Geranyl isovalerate Geranyl isovalerate
Structural formula
| Business number | 02YU |
|---|---|
| Molecular formula | C15H26O2 |
| Molecular weight | 238.37 |
| label |
(E)-3,7-Dimethyl-2,6-octadienol 3-methylbutyrate, Trans-3,7-dimethyl-2,6-octadien-1-yl isopentanoate, Trans-3 7-dimethyl-2 6-octadien-1-ol methylbutyrate, (2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate, 2,6-Octadien-1-ol, 3,7-dimethyl-, isovalerate, (E)-, 3,7-Dimethyl-,isovalerate,(e)-6-octadien-1-ol, 3,7 |
Numbering system
CAS number:109-20-6
MDL number:MFCD00036514
EINECS number:203-655-2
RTECS number:RG5927700
BRN number:None
PubChem number:24900986
Physical property data
1. Properties: colorless to slightly yellow liquid with rose aroma, apple and pineapple-like base aroma, and sweet apple-like sweetness.
2. Density (g/mL, 25℃): 0.89
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 279
6. Boiling point (ºC, mmHg): Undetermined
7. Refractive index (D20): 1.458
8. Flash point (ºC): 113
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined Determined
12. Saturated vapor pressure (kPa, ℃): 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
p>
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Dissolution Properties: Insoluble in water, soluble in most non-volatile oils and ethanol.
Toxicological data
1. Skin/eye irritation
Standard Draize test: rabbit, skin contact: 500mg/24H, severity of reaction: mild.
2. Other multiple dose toxicity: Rat oral TDLo: 15250mg/kg/61D-I;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 73.07
2. Molar volume (cm3/mol): 266.8
3. Isotonic specific volume (90.2K ): 617.8
4. Surface tension (dyne/cm): 28.7
5. Polarizability (10-24cm3): 28.96
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 4.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 8
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 281
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 chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
It is produced by azeotropic esterification of geraniol and isovaleric acid.
Purpose
GB 2760–1996 stipulates food spices that are allowed to be used.
