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α-Terpinene (α-Terpinene; Terpilene) 99-86-5

α-Terpinene (α-Terpinene; Terpilene) 99-86-5

CAS No.: 99-86-5

α-Terpinene (Terpilene) is a monoterpene found in many foods and in the essential oils of aromatic plants such as Menth
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α-Terpinene (Terpilene) is a monoterpene found in many foods and in the essential oils of aromatic plants such as Mentha piperita. α-Terpinene has activity against Trypanosoma evansi and may be utilized in trypanosomiasis research. Alpha-Terpinene also has antioxidant and antifungal properties.

Physicochemical Properties


Molecular Weight 136.23
Exact Mass 136.125
CAS # 99-86-5
PubChem CID 7462
Appearance Colorless to light yellow liquid
Density 0.8±0.1 g/cm3
Boiling Point 174.1±0.0 °C at 760 mmHg
Melting Point -59.03°C (estimate)
Flash Point 46.1±0.0 °C
Vapour Pressure 1.6±0.1 mmHg at 25°C
Index of Refraction 1.476
LogP 4.53
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Heavy Atom Count 10
Complexity 171
Defined Atom Stereocenter Count 0
SMILES

CC(C)C1=CC=C(C)CC1

InChi Key YHQGMYUVUMAZJR-UHFFFAOYSA-N
InChi Code

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Chemical Name

1-methyl-4-propan-2-ylcyclohexa-1,3-diene
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


Targets Trypanosoma
References

[1]. In Vitro and in Vivo Action of terpinen-4-ol, γ-Terpinene, and α-Terpinene Against Trypanosoma Evansi. Exp Parasitol. 2016 Mar;162:43-8.

[2]. Contribution of Organic Acids to α-Terpinene Antioxidant Activity. Food Chem. 2019 Mar 30;277:267-272.

[3]. α-Terpinene, an Antioxidant in Tea Tree Oil, Autoxidizes Rapidly to Skin Allergens on Air Exposure. Chem Res Toxicol. 2012 Mar 19;25(3):713-21.

[4]. Antimycotic Activity of Melaleuca Alternifolia Essential Oil and Its Major Components. Lett Appl Microbiol. 2003;37(2):185-7.

Additional Infomation Alpha-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. It has a role as a volatile oil component and a plant metabolite. It is a monoterpene and a cyclohexadiene.
alpha-Terpinene has been reported in Camellia sinensis, Artemisia thuscula, and other organisms with data available.

Solubility Data


Solubility (In Vitro) DMSO: 100 mg/mL (734.05 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (18.35 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 (18.35 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 (18.35 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 7.3405 mL 36.7026 mL 73.4053 mL
5 mM 1.4681 mL 7.3405 mL 14.6811 mL
10 mM 0.7341 mL 3.6703 mL 7.3405 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.