Basic information
- CAS
61197-09-9- Standard SMILES
CCCSSc1ccoc1C- InChIKey
YFPPCUTVJGGSQC-UHFFFAOYSA-N- Molecular formula
- C8H12OS2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.03295735
Overview
2-Methyl-3-(propyldithio)furan is a heteroarene.
Names & identifiers
- Preferred name
- Propyl 2-methyl-3-furyl disulfide
- IUPAC
- 2-methyl-3-(propyldisulfanyl)furan
- English name
- Propyl 2-methyl-3-furyl disulfide
- Molecular formula
- C8H12OS2
- Molecular weight
- 188.31
Names & synonyms
61197-09-92-methyl-3-(propyldisulfanyl)furanPropyl 2-methyl-3-furyl disulfide2-Methyl-3-(propyldithio)furanFEMA No. 36072-Methyl-3-furyl propyl disulfideUNII-L68JIN0W7QDISULFIDE, 2-METHYL-3-FURYL PROPYLpropyl 2-methyl-3-furyl disulphideEINECS 262-650-3L68JIN0W7QDTXSID30210094
Show more names
FEMA 36072-methyl-3-(propyldithio)-furadisulfide,2-methyl-3-furylpropyl2-Methyl-3-(propyldithio)furan>Furan, 2-methyl-3-(propyldithio)-
PROPYL 2-METHYL-3-FURYL DISULFIDE [FHFI]RefChem:176469DTXCID30132585Furan, 2-methyl-3-(propyldithio)-MFCD017298162-Methyl-3-(propyldithio)-FuranPropyl-2-methyl-3-furyl disulfideDS-11429
Database identifiers
- CAS
61197-09-9- PubChem CID
- 43579
- DTXSID
DTXSID30210094- ChEBI
CHEBI:179158
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.094-1.104
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in fat
Miscible at room temperature (in ethanol)
Boiling Point75.5-79 °C (1.4 mm Hg)
Refractive Index1.534-1.539
Physical DescriptionLiquid; meaty aroma
Physicochemical properties
- Boiling point
- 231.7 · 231.7±32.0 °C(Predicted)
- Density
- 1.1 · 1.10
- refractive index
- 1.538 · 1.5380-1.5420
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
Warning
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 236 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, 2-methyl-3-(propyldithio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-methyl-3-(propyldithio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.6%)
Safety data
- rtecs
- JO1975500
- ridadr
- 2810
- hs_code
- 2932190090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
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
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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