Beta-Ocimene/β-Ocimene (E/Z-mixture) is a naturally occurring organic/chemical reagent that belongs to the terpene family. It exists as a mixture of three isomers: cis-β-Ocimene, trans-β-Ocimene, and myrcene-like β-Ocimene. It has a pleasant, sweet herbal scent and is found in many plants such as mint, basil, parsley, and kumquats. β-Ocimene is extensively used in the fragrance and flavor industry due to its characteristic aroma and taste. It also may be utilized in agriculture as a natural repellent and pheromone that attracts beneficial insects. β-Ocimene has potential anti-inflammatory and anticancer activities.

Physicochemical Properties

Molecular Formula	C10H16
Molecular Weight	136.23
Exact Mass	136.125
CAS #	13877-91-3
Related CAS #	3779-61-1
PubChem CID	5281553
Appearance	Colorless to light yellow liquid
Density	0.8±0.1 g/cm3
Boiling Point	175.2±10.0 °C at 760 mmHg
Melting Point	-27.17°C (estimate)
Flash Point	46.9±13.8 °C
Vapour Pressure	1.6±0.2 mmHg at 25°C
Index of Refraction	1.458
LogP	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	10
Complexity	155
Defined Atom Stereocenter Count	0
SMILES	C=CC(=CCC=C(C)C)C
InChi Key	IHPKGUQCSIINRJ-CSKARUKUSA-N
InChi Code	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
Chemical Name	3,7-dimethylocta-1,3,6-triene
Synonyms	3,7-Dimethylocta-1,3,6-triene; beta-Ocimene; 13877-91-3; OCIMENE; b-Ocimene (>90%); CHEBI:10436; 1,3,6-Octatriene, 3,7-dimethyl-; ss-Ocimene (6CI); 3,7-Dimethyl-1,3,6-octatriene; DSSTox_CID_27051;
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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	Flavoring Agents
ln Vitro	A biochemical reagent called oximene (a combination of isomers) can be utilized in life science research as an organic substance or biological material. Ocimene has been reported in Pilocarpus microphyllus, Humulus lupulus, and other organisms.
References	[1]. https://pubchem.ncbi.nlm.nih.gov/compound/18756
Additional Infomation	Ocimene has been reported in Pilocarpus microphyllus, Humulus lupulus, and other organisms with data available. (E)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite. beta-Ocimene has been reported in Camellia sinensis, Salvia rosmarinus, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of).

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.