2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER (CAS 33441-50-8) — formula C6H12O2S, molecular weight 148.23; category organic chemicals.
| CAS Number | 33441-50-8 |
|---|---|
| Molecular Formula | C6H12O2S |
| Molecular Weight | 148.23 |
| Boiling Point | 186-187 °C |
| LogP | 1.4 |
| 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.
2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER is a carbon-based organic compound with CAS registry number 33441-50-8 and molecular formula C6H12O2S (molecular weight 148.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33441-50-8
Its molecular formula C6H12O2S comprises 6 C, 12 H, 2 O, 1 S atoms.
Also known as: 2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER · 2-巯基-2-甲基丙酸乙酯
Category: organic chemicals
The CAS registry number of 2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER is 33441-50-8.
Molecular formula C6H12O2S, molecular weight 148.23.
It is also registered under: 2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER, 2-巯基-2-甲基丙酸乙酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for 2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER (CAS 33441-50-8), compiled from public chemistry databases.
| CAS 号 | 33441-50-8 |
|---|---|
| PubChem CID | 14181802 |
| 分子式 | C6H12O2S |
| IUPAC 名称 | ethyl 2-methyl-2-sulfanylpropanoate |
| UNII（FDA） | OMU1N2F20B |
| FEMA 编号 | 4714 |
| JECFA 编号 | 2085 |
| Molecular Weight | 148.23 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 148.05580079 |
| Monoisotopic Mass | 148.05580079 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 186-187 °C |
|---|---|
| Density | 1.020-1.023 |
| Refractive Index | 1.424-1.464 |
33441-50-8; ETHYL 2-MERCAPTO-2-METHYLPROPIONATE; ETHYL 2-METHYL-2-SULFANYLPROPANOATE; Fema No. 4714; Ethyl 2-mercapto-2-methylpropanoate; OMU1N2F20B; UNII-OMU1N2F20B; Propanoic acid, 2-mercapto-2-methyl-, ethyl ester; DTXSID30557097; RefChem:138613; DTXCID70507879; 2-Mercapto-2-methyl-propanoic acid ethyl ester; 2-MERCAPTO-2-METHYL-PROPANOICACIDETHYLESTER; 2-Mercapto-2-methyl-propionic Acid Ethyl Ester; Propanoic acid,2-mercapto-2-methyl-, ethyl ester; SCHEMBL1975004
| 法规与食品接触 | 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 |
|---|
| 已通报的危害声明 | H227 (15.4%), H302 (15.4%), H315 (15.4%), H319 (100%), H335 (15.4%) |
|---|
2-巯基-2-甲基丙酸乙酯 · CAS 33441-50-8 · C6H12O2S. UNII OMU1N2F20B. Boiling Point: 186-187 °C; Density: 1.020-1.023; Refractive Index: 1.424-1.464.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-巯基-2-甲基丙酸乙酯