3-甲硫基乙酸丙酯（CAS 16630-55-0）：分子式 C6H12O2S、分子量 148.23。
| CAS号 | 16630-55-0 |
|---|---|
| 分子式 | C6H12O2S |
| 分子量 | 148.23 |
| 沸点 | 201.00 to 202.00 °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 |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-甲硫基乙酸丙酯 是一种化工化合物，登记 CAS 号为 16630-55-0，分子式 C6H12O2S（分子量 148.23）。
登记 CAS 号：16630-55-0
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-甲硫基乙酸丙酯 · 3-Methylthio Propyl Acetate
3-甲硫基乙酸丙酯 的 CAS 登记号为 16630-55-0。
分子式 C6H12O2S，分子量 148.23。
别名/同义词：3-甲硫基乙酸丙酯、3-Methylthio Propyl Acetate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-甲硫基乙酸丙酯（CAS 16630-55-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 16630-55-0 |
|---|---|
| PubChem CID | 85519 |
| Molecular formula | C6H12O2S |
| IUPAC name | 3-methylsulfanylpropyl acetate |
| UNII (FDA) | IGN6YR3CJE |
| FEMA number | 3883 |
| JECFA number | 478 |
| 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 | 201.00 to 202.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 201-202 °C |
| Density | 1.036-1.044 |
| Refractive Index | 1.461-1.467 |
3-(Methylthio)propyl acetate; 16630-55-0; 1-Propanol, 3-(methylthio)-, acetate; 1-Propanol, 3-(methylthio)-, 1-acetate; IGN6YR3CJE; methionyl acetate; Acetic Acid 3-(Methylthio)propyl Ester; EINECS 240-679-2; FEMA NO. 3883; DTXSID90168087; 3-ACETOXYPROPYL METHYL SULFIDE; 3-(METHYLTHIO)PROPYL ACETATE [FHFI]; RefChem:495605; DTXCID2090578; 240-679-2; 3-Methylthiopropyl acetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Asparagus, Cabbage, Herb, Mushroom, Potato No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 98.3% (115 / 117) |
| GHS notification summary | 98.3% (115 / 117) |
|---|
This chemical does not meet GHS hazard criteria for 98.3% (115 of 117) of all reports.
Reported as not meeting GHS hazard criteria by 115 of 117 companies (only 1.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
3-Methylthio Propyl Acetate · CAS 16630-55-0 · C6H12O2S. UNII IGN6YR3CJE. Boiling Point: 201.00 to 202.00 °C. @ 760.00 mm Hg; Boiling Point: 201-202 °C; Density: 1.036-1.044.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Methylthio Propyl Acetate