| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Acetyl cedrene does not have a defined biological or pharmacological target as it is primarily a fragrance ingredient rather than a drug. Its chemical properties and toxicological profile have been studied in the context of dermatological and environmental safety. It is not known to interact with specific receptors or enzymes in a therapeutic context. Its primary function is olfactory, binding to odorant receptors in the nasal epithelium to produce its characteristic woody-amber scent.
|
|---|---|
| ln Vitro |
Acetyl cedrene does not exhibit significant in vitro biological activity relevant to pharmacology. As a fragrance compound, its activity is related to its olfactory properties rather than cellular or enzymatic effects. In vitro studies have focused on its skin sensitization potential and safety profile for cosmetic applications. It is not known to have cytotoxic, enzyme-inhibitory, or receptor-modulating activities at concentrations used in consumer products. Any biological effects are typically related to dermatological reactions rather than therapeutic activities.
|
| ln Vivo |
Acetyl cedrene is not a therapeutic agent and does not have established in vivo pharmacological activity. Its primary application is in the fragrance industry, where it is used to impart woody and ambery notes to perfumes, soaps, and cosmetics. It is absorbed through the skin and respiratory tract upon exposure, but its systemic effects are minimal at typical exposure levels. The compound has a robust safety profile for its intended use in consumer products.
|
| Enzyme Assay |
In vitro assays for acetyl cedrene are primarily focused on safety assessment rather than pharmacological activity. Skin sensitization potential is evaluated using the Local Lymph Node Assay (LLNA) in vitro, where the compound is applied to skin models and cytokine release or lymphocyte proliferation is measured. For cytotoxicity screening, human keratinocyte or fibroblast cell lines are exposed to various concentrations (typically 0.1-1000 μg/mL) for 24-48 hours, and cell viability is assessed by MTT or neutral red uptake assays. The compound's ability to induce oxidative stress may be evaluated by measuring reactive oxygen species (ROS) production.
|
| Cell Assay |
Cell-based assays for acetyl cedrene are conducted to assess safety and potential irritancy. Human epidermal keratinocytes or reconstructed human epidermis models (e.g., EpiSkin) are exposed to the compound at concentrations relevant to dermal exposure. After incubation for 24-48 hours, cell viability is measured using MTT assays. Inflammatory responses are evaluated by measuring IL-1α, IL-6, and TNF-α release via ELISA. Skin irritation potential is assessed according to OECD guidelines using the reconstructed human epidermis test method, where tissue viability after compound exposure is compared to negative and positive controls.
|
| Animal Protocol |
In vivo animal studies for acetyl cedrene are primarily toxicological and conducted according to regulatory guidelines for fragrance safety assessment. OECD Test Guideline 402 (Acute Dermal Toxicity) involves applying the compound to the shaved skin of rats or rabbits and monitoring for mortality and clinical signs over 14 days. OECD TG 404 (Skin Irritation/Corrosion) and TG 405 (Eye Irritation) assess local effects. For repeat-dose toxicity, rats are administered the compound by oral gavage or dermal application for 28 or 90 days, with histopathological examination of organs, hematology, and clinical chemistry analysis.
|
| ADME/Pharmacokinetics |
As a fragrance ingredient, acetyl cedrene does not have established pharmacokinetic properties in the context of therapeutic use. When applied topically in consumer products, it is absorbed through the skin to a limited extent. Its small lipophilic molecule (log P estimated ~4.5) suggests potential for dermal absorption and distribution to fatty tissues. Metabolism likely occurs via oxidation of the methyl groups and ketone reduction, with subsequent conjugation and renal excretion. Systemic bioavailability from dermal exposure is expected to be low due to the compound's lipophilicity and rapid metabolism.
|
| Toxicity/Toxicokinetics |
Acetyl cedrene is considered to have a robust safety profile for its intended use in consumer products. It is not classified as a carcinogen, mutagen, or reproductive toxicant based on available data. However, as with many fragrance materials, it may cause skin sensitization or irritation in susceptible individuals at high concentrations. The compound has been evaluated by the Research Institute for Fragrance Materials (RIFM) and found to be safe for use in fragrances at current levels of exposure. Acute oral LD₅₀ in rats is >2000 mg/kg, indicating low acute toxicity.
|
| Additional Infomation |
Acetyl cedrene is a well-characterized synthetic fragrance ingredient with a CAS number 32388-55-9. It is produced via Friedel-Crafts acylation of α-cedrene. Its physicochemical properties and synthesis are well-established. Synonyms include Vertofix, Lixetone, and Acetylcedrene. It is soluble in chloroform, DMSO (slightly), and ethyl acetate (slightly). It has a flash point >230°F. The compound is used extensively in the fragrance industry and has been the subject of safety assessments by regulatory bodies worldwide.
|
| Molecular Formula |
C17H26O
|
|---|---|
| Molecular Weight |
246.39
|
| Exact Mass |
246.198
|
| CAS # |
32388-55-9
|
| PubChem CID |
16220111
|
| Appearance |
Colorless to light yellow liquid（Density：0.997 g/cm3）
|
| Density |
0.997 g/mL at 25 °C(lit.)
|
| Boiling Point |
272 °C(lit.)
|
| Flash Point |
>110 ºC
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
n20/D 1.516(lit.)
|
| LogP |
5.34
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
18
|
| Complexity |
443
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(=C3C)C(=O)C
|
| InChi Key |
YBUIAJZFOGJGLJ-SWRJLBSHSA-N
|
| InChi Code |
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
|
| Chemical Name |
1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
|
| Synonyms |
Acetyl cedrene Vertofix Lixetone Acetylcedrene
|
| 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) |
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
|
|---|---|
| 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 | 4.0586 mL | 20.2930 mL | 40.5861 mL | |
| 5 mM | 0.8117 mL | 4.0586 mL | 8.1172 mL | |
| 10 mM | 0.4059 mL | 2.0293 mL | 4.0586 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
