Basic information
- CAS
65505-17-1- Standard SMILES
CSSc1ccoc1C- InChIKey
SRUTWBWLFKSTIS-UHFFFAOYSA-N- Molecular formula
- C6H8OS2
- Average molar mass
- 160.3 g/mol
- Monoisotopic mass
- 160.00165722
Overview
2-methyl-3-methyldithiofuran is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- Methyl 2-methyl-3-furyl disulfide
- IUPAC
- 2-methyl-3-(methyldisulfanyl)furan
- English name
- Methyl 2-methyl-3-furyl disulfide
- Molecular formula
- C6H8OS2
- Molecular weight
- 160.26
Names & synonyms
Methyl 2-methyl-3-furyl disulfide2-Methyl-3-(methyldithio)furan2-methyl-3-(methyldisulfanyl)furanFuran, 2-methyl-3-(methyldithio)-FEMA No. 3573DISULFIDE, 2-METHYL-3-FURYL METHYLDTXSID9047704UNII-EG1VSC778GEINECS 265-797-1EG1VSC778GDTXCID7027702METHYL OXYCYCLOSULFIDE 719
Show more names
FEMA 3573Nitrofurantoin Impurity 212-Methyl-3-(dimercaptomethyl)-2-methyl-3-(methyldithio)-fura2-Methyl-[3-methyldithio]-furanedisulfide,2-methyl-3-furylmethylFuran, 2-methyl-3-(methyldithio)Methyl2-mehtyl-3-furyl disulfideMETHYL-2-METHYL-3-FURYLDISULPHIDE
METHYL 2-METHYL-3-FURYL DISULPHIDEMETHYL 2-METHYL-3-FURYL DISULFIDE [FHFI]RefChem:1573582-METHYL-3-FURYL METHYL DISULFIDESRUTWBWLFKSTIS-UHFFFAOYSA-N65505-17-1MFCD000386432-Methyl-3-(methyldithio)-furan
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.203-1.208
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water,soluble in organic solvents,oils
Miscible at room temperature (in ethanol)
Boiling Point
213.00 to 217.00 °C. @ 760.00 mm Hg
72.5-75 °C (5.5 mm Hg)
Refractive Index1.558-1.563
Physical DescriptionLiquid; roast meat aroma
Physicochemical properties
- Boiling point
- 210 °C · 210 °C(lit.)
- Density
- 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1592 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, 2-methyl-3-(methyldithio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-methyl-3-(methyldithio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- JO1975000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29321900
- risk_code
- 25-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 28-36/37/39-45-37/39-26
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
DescriptionMethyl 2-methyl-3-furyl disulfide has a roast meat odor.
OccurrenceReported found in hydrogenated vegetable oil and coffee.
UsesMethyl 2-methyl-3-furyl disulfide is used as a spice.
General DescriptionNatural occurrence: Cooked beef and tea.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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