Physicochemical Properties
| Molecular Formula | C18H24O |
| Molecular Weight | 256.3826 |
| Exact Mass | 256.182 |
| CAS # | 10309-37-2 |
| PubChem CID | 5468522 |
| Appearance | Colorless to yellow liquid |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 391.4±21.0 °C at 760 mmHg |
| Flash Point | 176.6±11.7 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.555 |
| LogP | 6.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 19 |
| Complexity | 328 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | O([H])C1C([H])=C([H])C(=C([H])C=1[H])/C(/[H])=C(\[H])/[C@@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H] |
| InChi Key | LFYJSSARVMHQJB-QIXNEVBVSA-N |
| InChi Code | InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1 |
| Chemical Name | 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol |
| 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 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) |
Biological Activity
| References |
[1]. Anti-tumor effects of bakuchiol, an analogue of resveratrol, on human lung adenocarcinoma A549 cell line. Eur J Pharmacol. 2010 Sep 25;643(2-3):170-9. [2]. In vitro evidence for bakuchiol's influence towards drug metabolism through inhibition of UDP-glucuronosyltransferase (UGT) 2B7. Afr Health Sci. 2014 Sep;14(3):564-9. [3]. Fructus Psoraleae contains natural compounds with potent inhibitory effects towards human carboxylesterase 2. Fitoterapia. 2015 Jan 13;101C:99-106. [4]. Anti-dermatophytic activity of bakuchiol: in vitro mechanistic studies and in vivo tinea pedis-inhibiting activity in a guinea pig model. Phytomedicine. 2014 Jun 15;21(7):942-5. [5]. Anti-Allergic and Anti-inflammatory Effects of Bakuchiol on Ovalbumin-Induced Allergic Rhinitis in Mice. Appl Biochem Biotechnol. 2024;196(6):3456-3470. |
| Additional Infomation |
Bakuchiol is under investigation in clinical trial NCT03112863 (Comparison of the Cosmetic Effects of Bakuchiol and Retinol). Bakuchiol has been reported in Spiraea formosana, Cullen corylifolium, and other organisms with data available. See also: Cullen corylifolium fruit (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~62.5 mg/mL (~243.78 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (8.46 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 21.7 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. Solubility in Formulation 2: ≥ 2.17 mg/mL (8.46 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 21.7 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 | 3.9005 mL | 19.5023 mL | 39.0046 mL | |
| 5 mM | 0.7801 mL | 3.9005 mL | 7.8009 mL | |
| 10 mM | 0.3900 mL | 1.9502 mL | 3.9005 mL |