| Size | Price | |
|---|---|---|
| Other Sizes |
| ln Vitro |
At an IC50 value of 30 μM, geranylacetate significantly inhibits the growth of the colo-205 cancer cell line [2]. In colo-205 cells, geranyl acetate promotes apoptosis, which is associated with upregulated Bax expression and downregulated Bcl-2 expression [2].
|
|---|---|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
ASSUMING THAT THESE TERPENE ESTERS ARE HYDROLYZED TO THE ALCOHOLS, THEY PROBABLY ARE THEN OXIDIZED IN PART TO AN ACID KNOWN AS HILDEBRANDT ACID... IN CASE OF GERANIOL, SOME REDUCED HILDEBRANDT ACID (@ 2-3 DOUBLE BOND) IS ALSO FORMED. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
LD50 Rat oral 6330 mg/kg |
| References |
|
| Additional Infomation |
Geranyl acetate is a clear colorless liquid with an odor of lavender. (NTP, 1992)
Geranyl acetate is a monoterpenoid that is the acetate ester derivative of geraniol. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a geraniol. Geranyl acetate has been reported in Cymbopogon martinii, Cymbopogon distans, and other organisms with data available. See also: Lemon oil, cold pressed (part of); Coriander Oil (part of); Java citronella oil (part of). |
| Molecular Formula |
C12H20O2
|
|---|---|
| Molecular Weight |
196.29
|
| Exact Mass |
196.146
|
| CAS # |
105-87-3
|
| PubChem CID |
1549026
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
247.5±0.0 °C at 760 mmHg
|
| Melting Point |
< 25ºC
|
| Flash Point |
98.9±0.0 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.458
|
| LogP |
4.1
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
14
|
| Complexity |
233
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=CCC/C(=C/COC(=O)C)/C)C
|
| InChi Key |
HIGQPQRQIQDZMP-DHZHZOJOSA-N
|
| InChi Code |
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
|
| Chemical Name |
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~509.45 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0945 mL | 25.4725 mL | 50.9450 mL | |
| 5 mM | 1.0189 mL | 5.0945 mL | 10.1890 mL | |
| 10 mM | 0.5095 mL | 2.5473 mL | 5.0945 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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