3-甲硫基丙酸乙酯（CAS 13327-56-5）：分子式 C6H12O2S、分子量 148.23。
| CAS号 | 13327-56-5 |
|---|---|
| 分子式 | C6H12O2S |
| 分子量 | 148.23 |
| 沸点 | 196.00 to 197.00 °C. @ 760.00 mm Hg |
| LogP | 1.1 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Propanoic acid、3-(methylthio)-、ethyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Propanoic acid、3-(methylthio)-、ethyl ester: ACTIVE。
3-甲硫基丙酸乙酯 是一种化工化合物，登记 CAS 号为 13327-56-5，分子式 C6H12O2S（分子量 148.23）。
登记 CAS 号：13327-56-5
其分子式 C6H12O2S 由 6 个碳、12 个氢、2 个氧、1 个硫 组成。
别名/同义词：3-甲硫基丙酸乙酯 · Ethyl 3-methylthiopropionate
3-甲硫基丙酸乙酯 的 CAS 登记号为 13327-56-5。
分子式 C6H12O2S，分子量 148.23。
别名/同义词：3-甲硫基丙酸乙酯、Ethyl 3-methylthiopropionate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Propanoic acid、3-(methylthio)-、ethyl ester: ACTIVE。
3-甲硫基丙酸乙酯（CAS 13327-56-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 13327-56-5 |
|---|---|
| PubChem CID | 61592 |
| Molecular formula | C6H12O2S |
| Molecular weight | 148.06 g/mol |
| IUPAC name | ethyl 3-methylsulfanylpropanoate |
| InChIKey | YSNWHRKJEKWJNY-UHFFFAOYSA-N |
| UNII (FDA) | 1AVT374NII |
| ChEBI ID | CHEBI:87503 |
| FEMA number | 3343 |
| JECFA number | 476 |
| Molecular Weight | 148.23 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.05580079 |
| Monoisotopic Mass | 148.05580079 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 9 |
| Boiling Point | 196.00 to 197.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 89-91 °C (15 mm Hg) |
| Density | 1.030-1.035 |
| Refractive Index | 1.457-1.463 |
13327-56-5; Ethyl 3-(methylthio)propionate; Ethyl 3-(methylthio)propanoate; Ethyl 3-methylthiopropionate; Propanoic acid, 3-(methylthio)-, ethyl ester; ethyl 3-methylsulfanylpropanoate; FEMA No. 3343; 3-(Methylthio)propionic Acid Ethyl Ester; UNII-1AVT374NII; 1AVT374NII; EINECS 236-370-7; NSC 165650; NSC-165650; DTXSID2065414; CHEBI:87503; FEMA 3343
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Cabbage, Caramel, Grass, Menthol No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 97.1% (168 / 173) |
| GHS notification summary | 97.1% (168 / 173) |
|---|
This chemical does not meet GHS hazard criteria for 97.1% (168 of 173) of all reports.
Reported as not meeting GHS hazard criteria by 168 of 173 companies (only 2.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Ethyl 3-methylthiopropionate is identified by CAS 13327-56-5, molecular formula C6H12O2S and molecular weight 148.06 g/mol. UNII 1AVT374NII; ChEBI 87503; InChIKey YSNWHRKJEKWJNY-UHFFFAOYSA-N. Boiling Point: 196.00 to 197.00 °C. @ 760.00 mm Hg; Boiling Point: 89-91 °C (15 mm Hg); Density: 1.030-1.035.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl 3-methylthiopropionate