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 |