| Size | Price | Stock | Qty |
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| 500mg |
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| Other Sizes |
| Targets |
Isobornyl acetate interacts with its targets primarily through its antimicrobial properties, inhibiting the growth of bacteria, fungi, and viruses. In the case of insects, it mimics the female beetle's sex attractant, luring males to a specific location. The compound also exhibits activity as a flavor and fragrance agent through interactions with olfactory receptors. As a monoterpene, it may modulate various biological pathways, but specific molecular targets have not been extensively characterized. The compound is classified under "Others" for its target category.
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| ln Vitro |
In vitro, Isobornyl acetate demonstrates antimicrobial activity against bacteria, fungi, and viruses. As a fragrance and flavoring compound, it is evaluated for its sensory properties rather than traditional pharmacological activities. The compound's antimicrobial effects are attributed to its ability to disrupt microbial cell membranes or interfere with essential metabolic processes. Isobornyl acetate is rapidly hydrolyzed (within hours) to isoborneol as the first step in its biochemical pathway. The compound is also used as a pharmaceutical ingredient.
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| ln Vivo |
In vivo, Isobornyl acetate undergoes rapid hydrolysis to isoborneol, which is then conjugated with glucuronic acid and excreted in the urine. Human studies have included maximum dose tests conducted on 25 volunteers. The compound is used in various applications including as a flavoring agent, fragrance ingredient, and pharmaceutical ingredient. Its presence in consumer products such as soaps, detergents, creams, lotions, and perfumes indicates dermal and inhalational exposure routes. No specific therapeutic in vivo efficacy data have been reported.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Isobornyl acetate are not typically conducted as the compound is primarily used as a flavoring and fragrance agent rather than a receptor-targeting drug. However, its antimicrobial activity can be evaluated using standard broth microdilution or disc diffusion methods against bacterial and fungal strains. The compound's rapid hydrolysis to isoborneol can be monitored in vitro using esterase assays or simulated metabolic systems. Olfactory receptor binding could potentially be assessed using cell-based receptor assays or electrophysiological recordings.
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| Cell Assay |
In vitro cellular assays for Isobornyl acetate are not extensively documented, as the compound is primarily used as a flavoring and fragrance agent. Antimicrobial activity can be assessed in bacterial or fungal culture systems using standard microbiological methods. Cytotoxicity may be evaluated in relevant cell lines using MTT or similar assays to determine the compound's safety profile for topical or oral applications. The compound's effects on olfactory neurons could be studied using calcium imaging or electrophysiological techniques.
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| Animal Protocol |
In vivo animal experiments for Isobornyl acetate have not been extensively reported in the pharmacological literature. Human studies have included maximum dose tests conducted on 25 volunteers. The compound's metabolism has been studied, showing rapid hydrolysis to isoborneol followed by glucuronidation and urinary excretion. Toxicological studies in animals would typically involve oral, dermal, or inhalation administration to determine safety parameters, but specific protocols and results have not been detailed in the available literature.
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| 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). Pharmacokinetic properties of Isobornyl acetate are characterized by rapid hydrolysis to isoborneol as the first step in its biochemical pathway. The resulting alcohol is then conjugated with glucuronic acid and excreted in the urine. The compound has a molecular weight of 196.29 g/mol and a molecular formula of C₁₂H₂₀O₂. As a lipophilic monoterpene ester, it is expected to be well absorbed through dermal, inhalational, and oral routes. Excretion is expected to occur within hours to days. The compound is used in soaps, detergents, creams, lotions, and perfumes. |
| 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 The toxicological profile of Isobornyl acetate is consistent with its widespread use as a flavoring and fragrance ingredient in consumer products. Human studies have included maximum dose tests conducted on 25 volunteers. The compound is generally recognized as safe at typical exposure levels. However, as with any volatile organic compound, inhalation of high concentrations may cause respiratory irritation. Standard safety precautions should be followed when handling the compound in concentrated form. Comprehensive toxicological data including LD₅₀ values and chronic exposure studies are not extensively detailed in the available literature. |
| 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. Isobornyl acetate (CAS# 125-12-2, molecular formula C₁₂H₂₀O₂, molecular weight 196.29) is a bicyclic monoterpene natural product from lemongrass oil. It is used as a flavoring agent, fragrance ingredient, and pharmaceutical ingredient. The compound exhibits antimicrobial properties and hydrolyzes to isoborneol followed by glucuronidation and urinary excretion. No clinical trials or regulatory approvals for therapeutic use have been identified. |
| Molecular Formula |
C12H20O2
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|---|---|
| Molecular Weight |
196.29
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| Exact Mass |
196.146
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| CAS # |
125-12-2
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| Related CAS # |
Bornyl acetate;76-49-3
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| PubChem CID |
6448
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| Appearance |
Colorless to very pale straw-colored liquid
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| Density |
0.983 g/mL at 25 °C(lit.)
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| Boiling Point |
229-233 °C(lit.)
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| Melting Point |
29°C
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| Flash Point |
190 °F
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| Vapour Pressure |
0.0959mmHg at 25°C
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| Index of Refraction |
n20/D 1.4635(lit.)
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| LogP |
2.764
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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@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
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| InChi Key |
KGEKLUUHTZCSIP-JBLDHEPKSA-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/t9-,10-,12+/m0/s1
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| Chemical Name |
[(1S,2S,4S)-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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| 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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