Ethyl (methylthio)acetate (CAS 4455-13-4) — formula C5H10O2S, molecular weight 134.20; category organic chemicals.
| CAS Number | 4455-13-4 |
|---|---|
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.20 |
| Boiling Point | 70.00 to 72.00 °C. @ 12.00 mm Hg |
| LogP | 1.2 |
| Category | Organic Chemicals |
Ethyl (methylthio)acetate is a carbon-based organic compound with CAS registry number 4455-13-4 and molecular formula C5H10O2S (molecular weight 134.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4455-13-4
Its molecular formula C5H10O2S comprises 5 C, 10 H, 2 O, 1 S atoms.
Also known as: Ethyl (methylthio)acetate · (甲硫基)乙酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl (methylthio)acetate is 4455-13-4.
Molecular formula C5H10O2S, molecular weight 134.20.
It is also registered under: Ethyl (methylthio)acetate, (甲硫基)乙酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl (methylthio)acetate (CAS 4455-13-4), compiled from public chemistry databases.
| CAS Registry Number | 4455-13-4 |
|---|---|
| PubChem CID | 78199 |
| Molecular formula | C5H10O2S |
| IUPAC name | ethyl 2-methylsulfanylacetate |
| UNII (FDA) | 6148QQN25T |
| FEMA number | 3835 |
| JECFA number | 475 |
| Molecular Weight | 134.20 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 134.04015073 |
| Monoisotopic Mass | 134.04015073 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 8 |
| Boiling Point | 70.00 to 72.00 °C. @ 12.00 mm Hg |
|---|---|
| Boiling Point | 70-72 °C (25 mm Hg) |
| Density | 1.038-1.043 |
| Refractive Index | 1.454-1.462 |
Ethyl (methylthio)acetate; 4455-13-4; Ethyl 2-(methylthio)acetate; Acetic acid, (methylthio)-, ethyl ester; Ethyl 2-(methylthio)-acetate; ethyl 2-(methylsulfanyl)acetate; 6148QQN25T; Ethyl 2-methylthioacetate; EINECS 224-700-2; NSC-165655; FEMA NO. 3835; DTXSID40196219; NSC 165655; (METHYLTHIO)ACETIC ACID ETHYL ESTS; ETHYL 2-(METHYLTHIO)ACETATE [FHFI]; ACETIC ACID, 2-(METHYLTHIO)-, ETHYL ESTER
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Green, Onion, Radish, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (99.3%), H315 (96.4%), H319 (100%), H335 (99.3%) |
|---|
H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Ethyl (methylthio)acetate · CAS 4455-13-4 · C5H10O2S. UNII 6148QQN25T. Boiling Point: 70.00 to 72.00 °C. @ 12.00 mm Hg; Boiling Point: 70-72 °C (25 mm Hg); Density: 1.038-1.043.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (甲硫基)乙酸乙酯