ethyl 3-(methylsulfanyl)butanoate (CAS 233665-96-8) — formula C7H14O2S, molecular weight 162.25; category organic chemicals.
| CAS Number | 233665-96-8 |
|---|---|
| Molecular Formula | C7H14O2S |
| Molecular Weight | 162.25 |
| Boiling Point | 101-103 °C (15 mm Hg) |
| LogP | 1.5 |
| 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.
ethyl 3-(methylsulfanyl)butanoate is a carbon-based organic compound with CAS registry number 233665-96-8 and molecular formula C7H14O2S (molecular weight 162.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 233665-96-8
Its molecular formula C7H14O2S comprises 7 C, 14 H, 2 O, 1 S atoms.
Also known as: ethyl 3-(methylsulfanyl)butanoate · 3-(甲硫基)丁酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 3-(methylsulfanyl)butanoate is 233665-96-8.
Molecular formula C7H14O2S, molecular weight 162.25.
It is also registered under: ethyl 3-(methylsulfanyl)butanoate, 3-(甲硫基)丁酸乙酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for ethyl 3-(methylsulfanyl)butanoate (CAS 233665-96-8), compiled from public chemistry databases.
| CAS Registry Number | 233665-96-8 |
|---|---|
| PubChem CID | 22213645 |
| Molecular formula | C7H14O2S |
| IUPAC name | ethyl 3-methylsulfanylbutanoate |
| UNII (FDA) | K3KKZ020B3 |
| FEMA number | 3836 |
| JECFA number | 480 |
| Molecular Weight | 162.25 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 162.07145086 |
| Monoisotopic Mass | 162.07145086 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 10 |
| Boiling Point | 101-103 °C (15 mm Hg) |
|---|---|
| Density | 0.880-0.887 |
| Refractive Index | 1.462-1.468 |
233665-96-8; ethyl 3-(methylthio)butyrate; Ethyl 3-methylsulfanylbutanoate; Tropical 3-thiobutyrate; FEMA No. 3836; K3KKZ020B3; Butanoic acid, 3-(methylthio)-, ethyl ester; Ethyl 3-(methylthio)butyrate [FIFH]; ethyl 3-(methylsulfanyl)butanoate; ETHYL 3-(METHYLTHIO)BUTYRATE [FHFI]; Ethyl 3-(methylthio)butyrate (FIFH); UNII-K3KKZ020B3; RefChem:594764; Ethyl 3-(methylthio)butanoate; Ethyl3-(methylthio)butanoate; ethyl 3-methylsulanylbutanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 |
|---|---|
| GHS notification summary | 50% (1 / 2) |
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H302 (50%), H315 (50%), H317 (50%), H319 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
ethyl 3-(methylsulfanyl)butanoate · CAS 233665-96-8 · C7H14O2S. UNII K3KKZ020B3. Boiling Point: 101-103 °C (15 mm Hg); Density: 0.880-0.887; Refractive Index: 1.462-1.468.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(甲硫基)丁酸乙酯