3-(Methylthio)-1-hexyl acetate（CAS 51755-85-2）：分子式 C9H18O2S、分子量 190.31。
| CAS号 | 51755-85-2 |
|---|---|
| 分子式 | C9H18O2S |
| 分子量 | 190.31 |
| 沸点 | 75 °C (5 mm Hg) |
| LogP | 2.4 |
| 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-(Methylthio)-1-hexyl acetate 是一种化工化合物，登记 CAS 号为 51755-85-2，分子式 C9H18O2S（分子量 190.31）。
登记 CAS 号：51755-85-2
其分子式 C9H18O2S 由 9 个碳、18 个氢、2 个氧、1 个硫 组成。
别名/同义词：3-(Methylthio)-1-hexyl acetate · 3-methylthiohexyl acetate
3-(Methylthio)-1-hexyl acetate 的 CAS 登记号为 51755-85-2。
分子式 C9H18O2S，分子量 190.31。
别名/同义词：3-(Methylthio)-1-hexyl acetate、3-methylthiohexyl acetate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-(Methylthio)-1-hexyl acetate（CAS 51755-85-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 51755-85-2 |
|---|---|
| PubChem CID | 62013 |
| Molecular formula | C9H18O2S |
| IUPAC name | 3-methylsulfanylhexyl acetate |
| UNII (FDA) | 0GEW9KKA0D |
| FEMA number | 3789 |
| JECFA number | 481 |
| Molecular Weight | 190.31 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 190.10275099 |
| Monoisotopic Mass | 190.10275099 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 12 |
| Boiling Point | 75 °C (5 mm Hg) |
|---|---|
| Density | 0.982-0.990 |
| Refractive Index | 1.461-1.469 |
3-(Methylthio)hexyl acetate; 51755-85-2; 3-(Methylthio)-1-hexyl acetate; FEMA No. 3789; 0GEW9KKA0D; 1-Hexanol, 3-(methylthio)-, acetate; 1-Hexanol, 3-(methylthio)-, 1-acetate; 3-(METHYLTHIO) HEXYL ACETATE [FHFI]; RefChem:495600; 3-(METHYLTHIO) HEXYL ACETATE; (+-)-3-(METHYLTHIO)HEXYL ACETATE; 3-(METHYLTHIO)HEXYL ACETATE, (+-)-; 610-722-3; 3-methylsulfanylhexyl acetate; 3-(Methylsulfanyl)hexyl acetate; (S)-3-Methylthiohexyl acetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Durian, Fat, Fruit, Mango No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 67.4% (89 / 132) |
| GHS notification summary | 67.4% (89 / 132) |
|---|---|
| Reported hazard statements | H315 (32.6%) |
This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.
H315 (32.6%): Causes skin irritation [Warning Skin corrosion/irritation]
3-(Methylthio)-1-hexyl acetate · CAS 51755-85-2 · C9H18O2S. UNII 0GEW9KKA0D. Boiling Point: 75 °C (5 mm Hg); Density: 0.982-0.990; Refractive Index: 1.461-1.469.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-(Methylthio)-1-hexyl acetate