| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
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| Targets |
Human Endogenous Metabolite
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|---|---|
| ln Vitro |
In comparison to seedlings exposed to ()-bornyl acetate, the wavy roots of the former have a considerable lengthening[1]. When separately administered to barley seedlings, (-)-Bornyl acetate (L-bornyl acetate) decreased powdery mildew infection in comparison to ether-free controls[2].
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| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
The percutaneous absorptions of camphene, isoborneol-acetate, limonene, menthol and alpha-pinene as constituents of a foam bath (Pinimenthol) were measured on animals using radioactively labelled ingredients. Pharmacokinetic measurements showed maximum blood levels for all tested ingredients 10 min after the onset of percutaneous absorption. None of the ingredients was preferentially absorbed. Blood levels of all ingredients after 10 min of percutaneous absorption were a direct function of the size of the skin area involved. Metabolism / Metabolites Isobornyl acetate readily hydrolyzes (within hours) to isobornyl alcohol during the first step of its biochemical pathway. The alcohol will become conjugated with glucoronic acid and be excreted in the urine (expected within hours to days). |
| Toxicity/Toxicokinetics |
Toxicity Summary
IDENTIFICATION AND USE: Isobornyl acetate is used in soaps, detergents, creams and lotions and perfumes. HUMAN STUDIES: A maximization test was carried out on 25 volunteers. The material was tested at a concentration of 10% and produced no sensitization reactions. ANIMAL STUDIES: Isobornyl acetate applied full strength to intact or abraded rabbit skin for 24 hr under occlusion was mildly irritating. Isobornyl acetate was administered daily to rats in doses of 0, 15, 90 or 270 mg/kg bw for 13 wk. Male rats had signs of nephrotoxicity at 90 mg/kg and 270 mg/kg/day, as well as signs of hepatotoxicity at 270 mg/kg. Isobornyl acetate was investigated in a 1-generation reproduction study in rats and it did not produce developmental toxicity. Increased incidences of excess salivation occurred in parent generation male and female rats at 100 and/or 300 mg/kg/d throughout the dosage period, and low incidences of urine-stained abdominal fur were seen in females at 300 mg/kg/d during the gestation period. Non-Human Toxicity Values LD50 Rabbit dermal >20 g/kg LD50 Rats oral >10 g/kg LD50 Mice oral 3100 mg/kg LD50 Rat oral 9050 mg/kg |
| References |
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| Additional Infomation |
Bornyl acetate has been reported in Artemisia thuscula, Curcuma xanthorrhiza, and other organisms with data available.
Mechanism of Action A possible explanation for the nephrotoxic effects in males but not females is the accumulation of alpha-2u-globulin, a protein in the male rat kidney that appears to lead to renal tubule tumor formation. |
| Molecular Formula |
C12H20O2
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|---|---|
| Molecular Weight |
196.29
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| Exact Mass |
196.146
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| CAS # |
5655-61-8
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| Related CAS # |
Bornyl acetate;76-49-3;(+)-Bornyl acetate;20347-65-3
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| PubChem CID |
6448
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
223.5±0.0 °C at 760 mmHg
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| Melting Point |
29ºC
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| Flash Point |
84.4±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.480
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
270
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)O[C+]12(C)C(C)(C)CCC(C2)C1
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| InChi Key |
KGEKLUUHTZCSIP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
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| Chemical Name |
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (509.45 mM)
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|---|---|
| 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) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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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