| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| 25g |
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| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
In rabbits, this alcohol is metabolized into 7-carboxy- and 7-hydroxymethyl-3-methyloctanoic acid, which are excreted in urine. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Citronellol is naturally occurring and has been reported in approximately 70 essential oils. It is registered for use as an insecticide in the United States, but its approved insecticide uses may change periodically; therefore, it is essential to consult federal, state, and local authorities for information on currently approved uses. It is also used in perfumery. Human Exposure and Toxicity: Back patch tests were performed on adult male volunteers with no known allergic reactions for 48 hours using a 32% citronellol patch. After 48 hours, the patch was removed and the test substance was cleaned from the skin. Moderate irritation was observed. Patch tests using a 1% citronellol acetone solution resulted in positive reactions in subjects allergic to citronella oil. Animal Studies: Applying undiluted citronellol to intact or abraded rabbit skin under closed conditions for 24 hours resulted in moderate irritation. Severe irritation was observed in rabbits and guinea pigs after exposure to 100% of the compound (unclosed) for 24, 48, or 72 hours. Mutagenicity tests of citronellol against Salmonella Typhimurium strains TA98 and TA100, with or without metabolic activation, showed that citronellol was not mutagenic. Ecotoxicity studies: Carp (Leuciscus idus) were exposed to the chemical under static conditions for 96 hours. No deaths were observed in the control group and the 4.64 mg/L group. At a concentration of 10 mg/L, lethargy was observed in carp within 24 hours, but no deaths were observed at 96 hours. At concentrations of 21.5, 46.4, and 100 mg/L, the mortality rate was 100% after 1 hour of exposure. Non-human toxicity values Mouse intramuscular LD50: 4 g/kg Rabbit dermal LD50: 2.65 g/kg Rat oral LD50: 3.45 g/kg |
| References |
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| Additional Infomation |
Citronellol is a monoterpenoid compound in which the octyl-6-ene molecule is substituted with a hydroxyl group at the 1-position and with methyl groups at the 3- and 7-positions. It is a plant metabolite. Citronellol has been reported in Ambrosiozyma monospora, Artemisia princeps, and other organisms with relevant data. 3,7-Dimethyl-6-octen-1-ol is a metabolite found or produced in Saccharomyces cerevisiae. See also: Java lemongrass oil (partial); lemongrass oil, geranium oil, soapberry oil. (Notes moved to)
Mechanism of Action We evaluated the effects of rose oil on peroxisome proliferation-activated receptor (PPAR) and cyclooxygenase-2 (COX-2). The major components of rose oil, citronellol and geraniol, activated PPAR α and γ and inhibited LPS-induced COX-2 expression in cell culture experiments. Although only citronellol exhibited PPARγ-dependent COX-2 promoter activity inhibition, this suggests that citronellol and geraniol are active components of rose oil. |
| Molecular Formula |
C10H20O
|
|---|---|
| Molecular Weight |
156.2652
|
| Exact Mass |
156.151
|
| CAS # |
106-22-9
|
| Related CAS # |
(R)-Citronellol;1117-61-9
|
| PubChem CID |
8842
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.8±0.1 g/cm3
|
| Boiling Point |
224.5±0.0 °C at 760 mmHg
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| Melting Point |
77-83 °C(lit.)
|
| Flash Point |
98.3±0.0 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.451
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| LogP |
3.38
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
11
|
| Complexity |
112
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H]
|
| InChi Key |
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
|
| Chemical Name |
3,7-dimethyloct-6-en-1-ol
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~639.92 mM)
H2O : ~1 mg/mL (~6.40 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.00 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 (16.00 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 (16.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 33.33 mg/mL (213.28 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3992 mL | 31.9959 mL | 63.9918 mL | |
| 5 mM | 1.2798 mL | 6.3992 mL | 12.7984 mL | |
| 10 mM | 0.6399 mL | 3.1996 mL | 6.3992 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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