3-Furaldehyde is a member of furans and aldehydes and may be utilized in the synthesis/preparation of the neocyclopentane diterpene Salvinorin A.

Physicochemical Properties

Molecular Formula	C5H4O2
Molecular Weight	96.08
Exact Mass	96.021
CAS #	498-60-2
PubChem CID	10351
Appearance	Colorless to light yellow liquid
Density	1.1±0.1 g/cm3
Boiling Point	145.3±0.0 °C at 760 mmHg
Flash Point	48.3±0.0 °C
Vapour Pressure	4.9±0.2 mmHg at 25°C
Index of Refraction	1.515
LogP	0.51
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Complexity	70.5
Defined Atom Stereocenter Count	0
SMILES	O1C([H])=C([H])C(C([H])=O)=C1[H]
InChi Key	AZVSIHIBYRHSLB-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
Chemical Name	furan-3-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

References	[1]. Photoisomerization and photochemistry of matrix-isolated 3-furaldehyde. J Phys Chem A. 2010 Dec 2;114(47):12427-36. [2]. Total Synthesis of the Neoclerodane Diterpene Salvinorin A via an Intramolecular Diels-Alder Strategy. Org Lett. 2018 Jun 1;20(11):3418-3421.
Additional Infomation	3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is a member of furans and an aldehyde. It derives from a hydride of a furan. 3-Furaldehyde has been reported in Picea abies with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (1040.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (26.02 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 (26.02 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 (26.02 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	10.4080 mL	52.0400 mL	104.0799 mL
	5 mM	2.0816 mL	10.4080 mL	20.8160 mL
	10 mM	1.0408 mL	5.2040 mL	10.4080 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.