Bis(2-methyl-3-furyl)disulfide, compound (2), is intended to provide a flavoring compound for enhancing the natural, fresh feel of milk-related products.

Physicochemical Properties

Molecular Formula	C10H10O2S2
Molecular Weight	226.3152
Exact Mass	226.012
CAS #	28588-75-2
PubChem CID	526624
Appearance	Light yellow to brown liquid
Density	1.3±0.1 g/cm3
Boiling Point	269.7±40.0 °C at 760 mmHg
Flash Point	116.9±27.3 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.623
LogP	3.65
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Complexity	169
Defined Atom Stereocenter Count	0
SMILES	S(C1C([H])=C([H])OC=1C([H])([H])[H])SC1C([H])=C([H])OC=1C([H])([H])[H]
InChi Key	OHDFENKFSKIFBJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
Chemical Name	2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
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

References

[1]. Flavoring composition. Assignee: Ogawa and Co., Ltd., Japan; Morinaga Milk Industry Co., Ltd.

Additional Infomation

Bis(2-methyl-3-furyl)disulfide is a member of the class of furans that is disulfane in which both hydrogen's are substituted by 2-methylfuran-3-yl groups. It is a flavouring agent found in meat. It has a role as a human metabolite, a flavouring agent, a plant metabolite, a mammalian metabolite and a Maillard reaction product. It is a member of furans and an organic disulfide. bis-(2-methyl-3-furyl) disulfide is a metabolite found in or produced by Saccharomyces cerevisiae. 3,3'-Dithiobis[2-methylfuran] is a metabolite found in or produced by Saccharomyces cerevisiae.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~441.87 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.05 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 (11.05 mM) 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.4185 mL	22.0926 mL	44.1852 mL
	5 mM	0.8837 mL	4.4185 mL	8.8370 mL
	10 mM	0.4419 mL	2.2093 mL	4.4185 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.