| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
|
|---|---|
| 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].
|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
This study used radiolabeled components to determine the dermal absorption of camphene, isoborneol acetate, limonene, menthol, and α-pinene from a pinimenthol bath in animals. Pharmacokinetic measurements showed that all test components reached peak plasma concentrations 10 minutes after the onset of dermal absorption. No preferential absorption was observed for any component. Ten minutes after dermal absorption, plasma concentrations of all components were positively correlated with skin contact area. Metabolism/Metabolites Isoborneol acetate is rapidly hydrolyzed (within hours) in the first step of its biochemical pathway to produce isoborneol. This alcohol will bind to glucuronic acid and be excreted in the urine (expected within hours to days). |
| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Isoborneol acetate is used in soaps, detergents, creams, lotions, and perfumes. Human Studies: Maximum dose tests were conducted on 25 volunteers. No sensitization was observed when the substance was tested at a 10% concentration. Animal Studies: Mild irritation was observed when undiluted isoborneol acetate was applied to intact or abraded rabbit skin and left closed for 24 hours. Rats were administered isoborneol acetate daily at doses of 0, 15, 90, or 270 mg/kg body weight for 13 weeks. Male rats showed nephrotoxicity at doses of 90 mg/kg and 270 mg/kg/day, and hepatotoxicity at a dose of 270 mg/kg. In single-generation breeding studies in rats, isoborneol acetate did not exhibit developmental toxicity. Throughout the administration period, both male and female parental rats in the 100 and/or 300 mg/kg/day dose groups showed an increased incidence of excessive salivation, while female rats in the gestational 300 mg/kg/day dose group had a lower incidence of small amounts of urine staining their abdominal fur. Non-human toxicity values Rabbit dermal LD50 >20 g/kg Rats oral LD50 >10 g/kg Mice oral LD50 3100 mg/kg Rats oral LD50 9050 mg/kg |
| References |
|
| Additional Infomation |
It has been reported that artemisia, turmeric, and other organisms with relevant data contain borneol acetate.
Mechanism of Action One possible explanation for the nephrotoxicity observed in males rather than females is the accumulation of α-2u-globulin, a protein that appears to contribute to the formation of renal tubular tumors in the kidneys of male rats. |
| Molecular Formula |
C12H20O2
|
|---|---|
| Molecular Weight |
196.29
|
| Exact Mass |
196.146
|
| CAS # |
5655-61-8
|
| Related CAS # |
Bornyl acetate;76-49-3;(+)-Bornyl acetate;20347-65-3
|
| PubChem CID |
6448
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
223.5±0.0 °C at 760 mmHg
|
| Melting Point |
29ºC
|
| Flash Point |
84.4±0.0 °C
|
| Vapour Pressure |
0.1±0.4 mmHg at 25°C
|
| Index of Refraction |
1.480
|
| LogP |
3.6
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
270
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=O)O[C+]12(C)C(C)(C)CCC(C2)C1
|
| InChi Key |
KGEKLUUHTZCSIP-UHFFFAOYSA-N
|
| 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
|
| Chemical Name |
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 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) 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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