Physicochemical Properties
| Molecular Formula | C15H26O |
| Molecular Weight | 222.36634 |
| Exact Mass | 222.198 |
| CAS # | 489-86-1 |
| PubChem CID | 227829 |
| Appearance | White to off-white solid powder |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 288.0±0.0 °C at 760 mmHg |
| Melting Point | 91-93ºC(lit.) |
| Flash Point | 113.6±15.6 °C |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.503 |
| LogP | 4.81 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 16 |
| Complexity | 301 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O |
| InChi Key | TWVJWDMOZJXUID-SDDRHHMPSA-N |
| InChi Code | InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1 |
| Chemical Name | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| 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) |
Biological Activity
| References |
[1]. (−)-Guaiol regulates RAD51 stability via autophagy to induce cell apoptosis in non-small cell lung cancer Oncotarget. 2016 Sep 20;7(38):62585-62597. [2]. Chemical composition and biological activity of four salvia essential oils and individual compounds against two species of mosquitoes J. Agric. Food Chem. 63(2), 447-456 (2015). [3]. Guaiol - a naturally occurring insecticidal sesquiterpene Nat. Prod. Commun. 8(10), 1353-1354 (2013). [4]. The in vitro antileishmanial activity of essential oil from Aloysia gratissima and guaiol, its major sesquiterpene against Leishmania amazonensis. Parasitology, 2018, 145(9): 1219-1227. [5]. Thurman E M. Analysis of terpenes in hemp (Cannabis sativa) by gas chromatography/mass spectrometry: Isomer identification analysis[M]//Comprehensive Analytical Chemistry. Elsevier, 2020, 90: 197-233. [6]. Determination and pharmacokinetic study of guaiol in rat plasma by gas chromatography–mass spectrometry with selected ion monitoring. Journal of Chromatography B, 2018, 1085: 30-35. |
| Additional Infomation |
Guaiol is a guaiane sesquiterpenoid. Guaiol has been reported in Tetradenia riparia, Humulus lupulus, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~33.33 mg/mL (~149.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4970 mL | 22.4850 mL | 44.9701 mL | |
| 5 mM | 0.8994 mL | 4.4970 mL | 8.9940 mL | |
| 10 mM | 0.4497 mL | 2.2485 mL | 4.4970 mL |