Safranal is the orally bioactive major component of saffron (Crocus sativus) and is responsible for the spice's unique aroma. Safranal has neuro-protection and anti-inflammatory effects and has research potential in PD/Parkinson's disease.

Physicochemical Properties

Molecular Formula	C10H14O
Molecular Weight	150.22
Exact Mass	150.104
CAS #	116-26-7
PubChem CID	61041
Appearance	Light yellow to yellow liquid
Density	0.975 g/cm3
Boiling Point	217.3ºC at 760 mmHg
Melting Point	< 25 °C
Flash Point	80.4ºC
Vapour Pressure	0.134mmHg at 25°C
Index of Refraction	n20/D 1.523(lit.)
LogP	2.487
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Complexity	231
Defined Atom Stereocenter Count	0
InChi Key	SGAWOGXMMPSZPB-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
Chemical Name	2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
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

ln Vitro	In both RAW264.7 cells and BMDMs, safranal (10–50 μM) reduces LPS-induced iNOS and COX-2 levels in a dose-dependent manner for one hour[1]. When lipopolysaccharide (LPS) stimulates RAW 264.7 cells, safranal (10–50 μM) suppresses mRNA expression and the generation of cytokines IL-6 and TNF-α for one hour[1]. In lipopolysaccharide (LPS)-stimulated RAW264.7 cells, safranal (10, 50 μM) for 1 h suppresses the nuclear translocation of NF-κB and AP-1[1]. This is followed by stimulation with 1 μg/ml of LPS for 30 min.
ln Vivo	Safranal (200–500 mg/kg; PO; for 7 days) results in a significantly low DAI score, a slight restoration of colon length, and a percentage of weight loss[1].
Cell Assay	Cell Types: RAW264.7 cells and bone marrow-derived macrophages (BMDMs) Tested Concentrations: 10, 50 μM Incubation Duration: For 1 h prior to lipopolysaccharide (LPS) stimulation (1 µg/ml) Experimental Results: Dose-dependently diminished LPS-induced iNOS and COX-2 levels in both RAW264.7 cells and BMDMs. Inhibited the phosphorylation of MAPK pathway proteins extracellular signal-regulated kinase (ERK), c-Jun N-terminal kinase (JNK), p38. Inhibited NF-κB pathway proteins IKKα/β and IκBα and the degradation of IκBα. RT-PCR[1] Cell Types: RAW 264.7 cells Tested Concentrations: 10, 50 μM Incubation Duration: For 1 h followed by stimulation with LPS (1 μg/ml) for 24 h Experimental Results: Inhibited cytokine IL-6 and TNF-α production and mRNA expression in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells.
Animal Protocol	Animal/Disease Models: Female balb/c (Bagg ALBino) mouse (18- 20 g) (DSS-induced colitis mice)[1] Doses: 200, 500 mg/kg Route of Administration: PO; for 7 days Experimental Results: Caused a slight restoration of colon length and percentage of weight loss, and the DAI score is Dramatically low .
References	[1]. Safranal Alleviates Dextran Sulfate Sodium-Induced Colitis and Suppresses Macrophage-Mediated Inflammation. Front Pharmacol. 2019 Nov 1;10:1281.
Additional Infomation	Safranal is a monoterpenoid formally derived from beta-cyclocitral by dehydrogenation. It is functionally related to a beta-cyclocitral. Safranal has been reported in Camellia sinensis, Eryngium foetidum, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

Ethanol :~100 mg/mL (~665.69 mM) DMSO :~100 mg/mL (~665.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (16.64 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 (16.64 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), suspension solution; with ultrasonication. 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 (16.64 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. Solubility in Formulation 4: ≥ 2.5 mg/mL (16.64 mM) (saturation unknown) in 10% EtOH + 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 EtOH stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 5: 2.5 mg/mL (16.64 mM) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH 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 6: ≥ 2.5 mg/mL (16.64 mM) (saturation unknown) in 10% EtOH + 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 EtOH 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	6.6569 mL	33.2845 mL	66.5690 mL
	5 mM	1.3314 mL	6.6569 mL	13.3138 mL
	10 mM	0.6657 mL	3.3285 mL	6.6569 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.