2-Methyl-5-(methylthio)furan (CAS 13678-59-6) — formula C6H8OS, molecular weight 128.03 g/mol.
| CAS Number | 13678-59-6 |
|---|---|
| Molecular Formula | C6H8OS |
| Molecular Weight | 128.03 g/mol |
| Boiling Point | 66.00 to 67.00 °C. @ 23.00 mm Hg |
| LogP | 2.7 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Furan, 2-methyl-5-(methylthio)-: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Furan, 2-methyl-5-(methylthio)-: ACTIVE.
2-Methyl-5-(methylthio)furan is a chemical compound with CAS registry number 13678-59-6 and molecular formula C6H8OS (molecular weight 128.03 g/mol).
CAS number: 13678-59-6
Its molecular formula C6H8OS comprises 6 C, 8 H, 1 O, 1 S atoms.
Also known as: 2-Methyl-5-(methylthio)furan · 2-methyl-5-methylthiofuran
The CAS registry number of 2-Methyl-5-(methylthio)furan is 13678-59-6.
Molecular formula C6H8OS, molecular weight 128.03 g/mol.
It is also registered under: 2-Methyl-5-(methylthio)furan, 2-methyl-5-methylthiofuran.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Furan, 2-methyl-5-(methylthio)-: ACTIVE.
Independent reference data for 2-Methyl-5-(methylthio)furan (CAS 13678-59-6), compiled from public chemistry databases.
| CAS Registry Number | 13678-59-6 |
|---|---|
| PubChem CID | 61657 |
| Molecular formula | C6H8OS |
| Molecular weight | 128.03 g/mol |
| IUPAC name | 2-methyl-5-methylsulfanylfuran |
| InChIKey | RESBOJMQOGJOMW-UHFFFAOYSA-N |
| UNII (FDA) | 41Z7B950JJ |
| ChEBI ID | CHEBI:89286 |
| FEMA number | 3366 |
| JECFA number | 1062 |
| Molecular Weight | 128.19 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.02958605 |
| Monoisotopic Mass | 128.02958605 |
| Topological Polar Surface Area | 38.4 |
| Heavy Atom Count | 8 |
| Boiling Point | 66.00 to 67.00 °C. @ 23.00 mm Hg |
|---|---|
| Boiling Point | 80 °C (45-50 mm Hg); 66-67 °C (23 mm Hg) |
| Density | 1.055-1.059/ (20 °C) |
| Refractive Index | 1.514-1.520 |
2-Methyl-5-(methylthio)furan; Furan, 2-methyl-5-(methylthio)-; 2-Methyl-5-(methylsulfanyl)furan; 2-methyl 5-(methyl thio) furan; FEMA No. 3366; UNII-41Z7B950JJ; 41Z7B950JJ; EINECS 237-170-2; 2-methyl-5-(methylthio)-furan; DTXSID9065578; CHEBI:89286; FEMA 3366; 2-Methyl-5-(methylmercapto)furan; 2-Methyl-5-(methylthio)furan, 9CI; RefChem:88172; DTXCID3034379
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (99.2%) |
|---|
H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
2-Methyl-5-(methylthio)furan is identified by CAS 13678-59-6, molecular formula C6H8OS and molecular weight 128.03 g/mol. UNII 41Z7B950JJ; ChEBI 89286; InChIKey RESBOJMQOGJOMW-UHFFFAOYSA-N. Boiling Point: 66.00 to 67.00 °C. @ 23.00 mm Hg; Boiling Point: 80 °C (45-50 mm Hg); 66-67 °C (23 mm Hg); Density: 1.055-1.059/ (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.