| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
In rabbits this alcohol metabolizes to 7-carboxy-and 7-hydroxymethyl-3-methylocta-6-enoic acids, and these are excreted in the urine. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
IDENTIFICATION AND USE: Citronellol has been found in nature, and it has been reported in about 70 essential oils. It is registered for pesticide use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. It is also used in perfumery. HUMAN EXPOSURE AND TOXICITY: Adult male volunteers with no known allergic reactions were patch-tested on their back for 48 hr with 32% citronellol. After 48 hr, patches were removed and the skin was cleaned of any residual test material. Moderate irritation was observed. A patch test using a 1% concentration of citronellol in acetone gave a positive reaction in subjects allergic to citronella oil. ANIMAL STUDIES: Citronellol applied full strength to intact or abraded rabbit skin for 24 hr under occlusion was moderately irritating. Severe irritation was observed in rabbits and guinea pigs exposed to 100% compound (unoccluded) for 24, 48 or 72 hr. Citronellol was not mutagenic when tested in Salmonella typhimurium strains TA98 and TA100 in the presence and absence of metabolic activation. ECOTOXICITY STUDIES: Golden Orfe (Leuciscus idus) were exposed to this chemical under static conditions for 96 hours. No mortalities were seen in the control and 4.64 mg/L groups. At 10 mg/L, apathy was noted up to 24 hr, but no mortalities were noted at 96 hr. At 21.5, 46.4 and 100 mg/L, 100% mortality was seen 1 hour after exposure. Non-Human Toxicity Values LD50 Mice im 4 g/kg LD50 Rabbit dermal 2.65 g/kg LD50 Rats oral 3.45 g/kg |
| References |
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| Additional Infomation |
Citronellol is a monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. It has a role as a plant metabolite.
Citronellol has been reported in Ambrosiozyma monospora, Artemisia princeps, and other organisms with data available. 3,7-Dimethyl-6-octen-1-ol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Java citronella oil (part of); Oils, geranium, sapond. (annotation moved to). Mechanism of Action We evaluated the effects of rose oil on the peroxisome proliferator-activated receptor (PPAR) and cyclooxygenase-2 (COX-2).Citronellol and geraniol, the major components of rose oil, activated PPAR alpha and gamma, and suppressed LPS-induced COX-2 expression in cell culture assays, although the PPARgamma-dependent suppression of COX-2 promoter activity was evident only with citronellol, indicating that citronellol and geraniol were the 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
|
| Melting Point |
77-83 °C(lit.)
|
| Flash Point |
98.3±0.0 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.451
|
| LogP |
3.38
|
| 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
|
| 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) |
|---|---|
| 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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