Physicochemical Properties
| Molecular Formula | C13H28O |
| Molecular Weight | 200.36 |
| Exact Mass | 200.214 |
| CAS # | 112-70-9 |
| Related CAS # | 1-Tridecanol-d27;203633-18-5 |
| PubChem CID | 8207 |
| Appearance |
WATER WHITE LIQ Crystals from alcohol |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 272.1±3.0 °C at 760 mmHg |
| Melting Point | 29-34 °C(lit.) |
| Flash Point | 121.1±4.6 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.443 |
| LogP | 5.66 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 14 |
| Complexity | 91.2 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| InChi Key | XFRVVPUIAFSTFO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3 |
| Chemical Name | tridecan-1-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
| ln Vitro | 1-Tridecanol is a biochemical reagent that can be utilized in studies pertaining to life sciences as an organic compound or biological material. |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion ... Maximum permeation of melatonin (MT) was observed when fatty alcohol carbon chain length was 10. As the level of unsaturation increased from one to two double bonds, there was an increase in the permeation of MT both in porcine and human skin. However, a decrease in the permeation was observed with three double bonds. Regression analysis ... showed a significant positive correlation between porcine and human skin for saturated fatty alcohols (r(2)=0.8868, P=0.0005). ... The flux of melatonin across hairless rat skin was dependent on the carbon chain length of the fatty alcohols, with decanol showing the maximum permeation of melatonin. All fatty alcohols increased the transepidermal water loss (TEWL) and skin blood flow significantly compared with the vehicle. The fatty alcohols (decanol, undecanol and lauryl alcohol), which showed greater permeation of melatonin, also produced greater TEWL, skin blood flow and erythema. Tridecanol and myristyl alcohol showed lower permeation enhancement effect but caused greater skin irritation. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values LD50 Rat oral 17.2 ml/kg /Mixed primary isomers/ LD50 Rabbit dermal 7.07 ml/kg /Mixed primary isomers/ |
| Additional Infomation |
Tridecanol is an oily liquid; colorless; mild, pleasant odor. Floats on water. (USCG, 1999) Tridecan-1-ol is a long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1. It has a role as a bacterial metabolite, a plant metabolite and a human metabolite. It is a tridecanol and a long-chain primary fatty alcohol. 1-Tridecanol has been reported in Angelica gigas, Mikania cordifolia, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (499.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.48 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 (12.48 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.48 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 | 4.9910 mL | 24.9551 mL | 49.9102 mL | |
| 5 mM | 0.9982 mL | 4.9910 mL | 9.9820 mL | |
| 10 mM | 0.4991 mL | 2.4955 mL | 4.9910 mL |