Basic information
- CAS
13678-67-6- Standard SMILES
c1coc(CSCc2ccco2)c1- InChIKey
UYLKDZXJEKFFHJ-UHFFFAOYSA-N- Molecular formula
- C10H10O2S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.04015073
Names & identifiers
- Preferred name
- Difurfuryl sulfide
- IUPAC
- 2-(furan-2-ylmethylsulfanylmethyl)furan
- English name
- Difurfuryl sulfide
- Molecular formula
- C10H10O2S
- Molecular weight
- 194.25
Names & synonyms
Difurfuryl sulfide13678-67-6Furfuryl sulfideFuran, 2,2'-[thiobis(methylene)]bis-Bis(2-furfuryl) sulfide2-Furfuryl monosulfideFEMA No. 32382,2-(Thiodimethylene)-difuran2,2'-(Thiobis(methylene))bisfuranFuran, 2,2'-(thiodimethylene)di-2,2'-(Thiodimethylene) difuranX6O686CPCO
Show more names
bis(2-furylmethyl) sulfideFEMA 3238DIFURFURYL MONOSULFIDETwofurfurylsulfideDifurfural SulfideFURFURYLDISULPHIDEDIFURFURYL SULPHIDE
2,2'-(Thiodimethylene)difuranFuran, 2,2'-(thiobis(methylene))bis-EINECS 237-172-3DTXSID30655802,2'-[thiobis(methylene)]bisfuran2,2'-(THIODIMETHYLENE)DIFURAN [FHFI]RefChem:587468DTXCID7034381
Database identifiers
- CAS
13678-67-6- PubChem CID
- 61659
- DTXSID
DTXSID3065580- UNII
- X6O686CPCO
- EC Number
- 237-172-3
- Nikkaji
- J277.984F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
Density1.144-1.154
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water,soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
130.00 to 131.00 °C. @ 9.00 mm Hg
135-143 °C (14mmHg)
Melting Point31 - 32 °C
Refractive Index1.545-1.560
Physical Description
Solid
Colourless liquid; powerful, repulsive sulfuraceous odour even at dilute concentrations
Physicochemical properties
- Melting point
- 29 · 29-34 °C(lit.)
- Boiling point
- 135 · 135-143 °C14 mm Hg(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
This chemical does not meet GHS hazard criteria for 0.8% (12 of 1445) of reports.
Warning
H302 (89%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1445 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Furan, 2,2'-[thiobis(methylene)]bis-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2,2'-[thiobis(methylene)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (89%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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
General Manufacturing InformationFuran, 2,2'-[thiobis(methylene)]bis-: ACTIVE
Applications
OccurrenceReported found in coffee.
Usesflavors and fragrances
Preparation methods
PreparationBy refluxing a mixture of 2-furyl-methanethiol in ethanolic KOH and furfuryl bromide in ether.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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