| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Toxicity/Toxicokinetics |
According to the provided literature, in the context of insect defensive secretions, octyl acetate does not display marked toxicity by itself, nor does it show specific synergism with co-occurring toxins. [1]
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|---|---|
| References | |
| Additional Infomation |
Octyl acetate is the acetate ester of octanol. It is a plant metabolite functionally related to octanol. Octyl acetate has been reported in Artemisia suchacula, Mandragora autumnalis, and other organisms with relevant data. Octyl acetate is a metabolite found or produced in Saccharomyces cerevisiae.
- octyl acetate content in mature wild parsnip fruits from 31 maternal plants showed a mean of 1.56 μg/mg dry fruit mass (range 0.08–5.51 μg/mg dry fruit mass). [1] - Phenotypic correlations: octyl acetate content was significantly correlated with octyl butyrate (r = 0.432, P = 0.0005), bergapten (r = 0.309, P = 0.0144), imperatorin (r = 0.452, P = 0.0002), and xanthotoxin (r = 0.331, P = 0.0086), but not significantly correlated with sphondin (r = 0.031, P = 0.8106) in mature fruits. [1] - Narrow-sense heritability (h²) estimates for octyl acetate content: 0.389 ± 0.249 by half-sib family analysis (family df = 29, MS = 2.682, F = 1.75, P = 0.014); and 0.654 ± 0.128 by parent-offspring regression (regression coefficient = 0.327, SE = 0.064, P < 0.001). [1] - The additive genetic correlation between octyl acetate and octyl butyrate was not significant (r_a = 0.108, regressions between traits not significant, P > 0.05), indicating that the two esters could respond independently to selection pressures. [1] - octyl acetate is anatomically restricted to vitae in parsnip fruits, where furanocoumarins also localize. It is hypothesized to serve as a solvent that enhances the transfer of furanocoumarins onto herbivore surfaces after rupture of the oil tubes. This proposed function is consistent with the significant phenotypic correlation between octyl acetate and furanocoumarin contents. [1] |
| Molecular Formula |
C10H20O2
|
|---|---|
| Molecular Weight |
172.2646
|
| Exact Mass |
172.146
|
| CAS # |
112-14-1
|
| PubChem CID |
8164
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
210.3±3.0 °C at 760 mmHg
|
| Melting Point |
-38.5 °C
|
| Flash Point |
86.1±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.423
|
| LogP |
3.9
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
12
|
| Complexity |
110
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
|
| InChi Key |
YLYBTZIQSIBWLI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
|
| Chemical Name |
octyl 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 (~580.52 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.51 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 (14.51 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 (14.51 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 | 5.8052 mL | 29.0259 mL | 58.0518 mL | |
| 5 mM | 1.1610 mL | 5.8052 mL | 11.6104 mL | |
| 10 mM | 0.5805 mL | 2.9026 mL | 5.8052 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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