Guaiazulene is found in several medicinal and aromatic plant essential oils and has anti-oxidant effect. Guaiazulene has in vitro cytotoxic activity against neurons and N2a-NB cells.

Physicochemical Properties

Molecular Formula	C15H18
Molecular Weight	198.30
Exact Mass	198.14
CAS #	489-84-9
PubChem CID	3515
Appearance	Solid-Liquid Mixture
Density	0.976
Boiling Point	305.4±22.0 °C at 760 mmHg
Melting Point	27-29 °C(lit.)
Flash Point	142.3±13.1 °C
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.573
LogP	5.71
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	15
Complexity	206
Defined Atom Stereocenter Count	0
SMILES	C([H])(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C(C([H])([H])[H])=C2C([H])=C([H])C(C([H])([H])[H])=C2C=1[H]
InChi Key	FWKQNCXZGNBPFD-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
Chemical Name	1,4-dimethyl-7-propan-2-ylazulene
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	Human Endogenous Metabolite
References	[1]. Antioxidant activity of guaiazulene and protection against paracetamol hepatotoxicity in rats. J Pharm Pharmacol. 1997 Sep;49(9):938-42. [2]. Guaiazulene biochemical activity and cytotoxic and genotoxic effects on rat neuron and N2a neuroblastom cells. J Intercult Ethnopharmacol. 2015 Jan-Mar;4(1):29-33.
Additional Infomation	Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane. Guaiazulene has been reported in Artemisia thuscula, Magnolia officinalis, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (252.14 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6.25 mg/mL (31.52 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 62.5 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: ≥ 6.25 mg/mL (31.52 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 62.5 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	5.0429 mL	25.2143 mL	50.4286 mL
	5 mM	1.0086 mL	5.0429 mL	10.0857 mL
	10 mM	0.5043 mL	2.5214 mL	5.0429 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.