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1-Tridecanol (Tridecyl Alcohol) 112-70-9

1-Tridecanol (Tridecyl Alcohol) 112-70-9

CAS No.: 112-70-9

1-Tridecanol is an organic/chemical reagent extensively used as a surfactant, lubricant, stabilizer, etc. It may be util
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1-Tridecanol is an organic/chemical reagent extensively used as a surfactant, lubricant, stabilizer, etc. It may be utilized in some cleaning products, preservatives and plastic additives and can help enhance their performance and stability. In addition, the compound may be used in certain industrial areas, such as in the manufacture of products such as cellulose and paints. Although the compound has no direct medical applications, it plays an important role in consumer products and industrial production.

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
*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.