methyl 3-(furfurylthio)propionate (CAS 94278-26-9) — formula C9H12O3S, molecular weight 200.26; category organic chemicals.
| CAS Number | 94278-26-9 |
|---|---|
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.26 |
| Boiling Point | 113-116 °C ( 0.2 mm Hg) |
| LogP | 1.3 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
methyl 3-(furfurylthio)propionate is a carbon-based organic compound with CAS registry number 94278-26-9 and molecular formula C9H12O3S (molecular weight 200.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94278-26-9
Its molecular formula C9H12O3S comprises 9 C, 12 H, 3 O, 1 S atoms.
Also known as: methyl 3-(furfurylthio)propionate
Category: organic chemicals
The CAS registry number of methyl 3-(furfurylthio)propionate is 94278-26-9.
Molecular formula C9H12O3S, molecular weight 200.26.
It is also registered under: methyl 3-(furfurylthio)propionate.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for methyl 3-(furfurylthio)propionate (CAS 94278-26-9), compiled from public chemistry databases.
| CAS Registry Number | 94278-26-9 |
|---|---|
| PubChem CID | 15225386 |
| Molecular formula | C9H12O3S |
| IUPAC name | methyl 3-(furan-2-ylmethylsulfanyl)propanoate |
| UNII (FDA) | L1387H8Y3U |
| FEMA number | 4538 |
| JECFA number | 2094 |
| Molecular Weight | 200.26 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 200.05071541 |
| Monoisotopic Mass | 200.05071541 |
| Topological Polar Surface Area | 64.7 |
| Heavy Atom Count | 13 |
| Boiling Point | 113-116 °C ( 0.2 mm Hg) |
|---|---|
| Density | 1.167-1.173 (20 °C) |
| Refractive Index | 1.511-1.517 |
94278-26-9; Methyl 3-(furfurylthio)propionate; Methyl furfuryl mercaptopropionate; L1387H8Y3U; EINECS 304-715-1; FEMA NO. 4538; Propanoic acid, 3-((2-furanylmethyl)thio)-, methyl ester; Propanoic acid, 3-[(2-furanylmethyl)thio]-, methyl ester; methyl 3-[(2-furanylmethyl)thio]propanoate; Methyl 3-((2-furanylmethyl)thio)propanoate; RefChem:815029; Methyl furfuyl mercaptopropionate; Propanoic acid, 3-(2-furanylmethyl)thio-, methyl ester; 304-715-1; Methyl 3-((furan-2-ylmethyl)thio)propanoate; methyl 3-(furan-2-ylmethylsulfanyl)propanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 8.3% (1 / 12) |
| GHS notification summary | 8.3% (1 / 12) |
|---|---|
| Reported hazard statements | H315 (91.7%), H319 (91.7%), H335 (91.7%) |
This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
methyl 3-(furfurylthio)propionate · CAS 94278-26-9 · C9H12O3S. UNII L1387H8Y3U. Boiling Point: 113-116 °C ( 0.2 mm Hg); Density: 1.167-1.173 (20 °C); Refractive Index: 1.511-1.517.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.