3-巯基丙酸乙酯（CAS 5466-06-8）：分子式 C5H10O2S、分子量 134.20。
| CAS号 | 5466-06-8 |
|---|---|
| 分子式 | C5H10O2S |
| 分子量 | 134.20 |
| 沸点 | 75.00 to 76.00 °C. @ 10.00 mm Hg |
| LogP | 0.7 |
| 应用领域 | Uses: Used as a flavoring agent、[FDA]、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、3-mercapto-、ethyl ester: ACTIVE |
登记用途：Uses: Used as a flavoring agent、[FDA]、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、3-mercapto-、ethyl ester: ACTIVE。
3-巯基丙酸乙酯 是一种化工化合物，登记 CAS 号为 5466-06-8，分子式 C5H10O2S（分子量 134.20）。
登记 CAS 号：5466-06-8
其分子式 C5H10O2S 由 5 个碳、10 个氢、2 个氧、1 个硫 组成。
别名/同义词：3-巯基丙酸乙酯 · Ethyl 3-mercaptopropionate
3-巯基丙酸乙酯 的 CAS 登记号为 5466-06-8。
分子式 C5H10O2S，分子量 134.20。
别名/同义词：3-巯基丙酸乙酯、Ethyl 3-mercaptopropionate。
登记用途：Uses: Used as a flavoring agent、[FDA]、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、3-mercapto-、ethyl ester: ACTIVE。
3-巯基丙酸乙酯（CAS 5466-06-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5466-06-8 |
|---|---|
| PubChem CID | 21625 |
| Molecular formula | C5H10O2S |
| Molecular weight | 134.04 g/mol |
| IUPAC name | ethyl 3-sulfanylpropanoate |
| InChIKey | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| UNII (FDA) | 22GQZ8P70D |
| ChEBI ID | CHEBI:173554 |
| FEMA number | 3677 |
| JECFA number | 553 |
| Molecular Weight | 134.20 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 134.04015073 |
| Monoisotopic Mass | 134.04015073 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 75.00 to 76.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 162 °C |
| Refractive Index | 1.454-1.460 |
ETHYL 3-MERCAPTOPROPIONATE; 5466-06-8; Ethyl 3-mercaptopropanoate; 3-Mercaptopropanoic acid ethyl ester; Propanoic acid, 3-mercapto-, ethyl ester; Ethyl beta-mercaptopropionate; Propionic acid, 3-mercapto-, ethyl ester; FEMA No. 3677; 22GQZ8P70D; NSC-25754; DTXSID7063922; RefChem:595003; DTXCID0041771; 226-771-5; Ethyl 3-sulfanylpropanoate; 3-Mercaptopropionic Acid Ethyl Ester
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 | 0.8% (11 / 1442) |
| GHS notification summary | 0.8% (11 / 1442) |
|---|---|
| Reported hazard statements | H315 (99.2%), H319 (99.2%), H335 (99.2%) |
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1442) of reports.
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
Ethyl 3-mercaptopropionate is identified by CAS 5466-06-8, molecular formula C5H10O2S and molecular weight 134.04 g/mol. UNII 22GQZ8P70D; ChEBI 173554; InChIKey CJQWLNNCQIHKHP-UHFFFAOYSA-N. Boiling Point: 75.00 to 76.00 °C. @ 10.00 mm Hg; Boiling Point: 162 °C; Refractive Index: 1.454-1.460.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl 3-mercaptopropionate