3-甲硫基己醛（CAS 38433-74-8）：分子式 C7H14OS、分子量 146.25。
| CAS号 | 38433-74-8 |
|---|---|
| 分子式 | C7H14OS |
| 分子量 | 146.25 |
| 沸点 | 206.00 to 207.00 °C. @ 760.00 mm Hg |
| LogP | 1.6 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-甲硫基己醛 是一种化工化合物，登记 CAS 号为 38433-74-8，分子式 C7H14OS（分子量 146.25）。
登记 CAS 号：38433-74-8
其分子式 C7H14OS 由 7 个碳、14 个氢、1 个氧、1 个硫 组成。
别名/同义词：3-甲硫基己醛 · 3-Methylthio hexanal
3-甲硫基己醛 的 CAS 登记号为 38433-74-8。
分子式 C7H14OS，分子量 146.25。
别名/同义词：3-甲硫基己醛、3-Methylthio hexanal。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3-甲硫基己醛（CAS 38433-74-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 38433-74-8 |
|---|---|
| PubChem CID | 3015979 |
| Molecular formula | C7H14OS |
| Molecular weight | 146.08 g/mol |
| IUPAC name | 3-methylsulfanylhexanal |
| InChIKey | VIVJHDGDCOQORO-UHFFFAOYSA-N |
| UNII (FDA) | 1U9V3213BJ |
| ChEBI ID | CHEBI:173390 |
| FEMA number | 3877 |
| JECFA number | 469 |
| Molecular Weight | 146.25 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.07653624 |
| Monoisotopic Mass | 146.07653624 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 9 |
| Boiling Point | 206.00 to 207.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 81 °C |
| Density | 0.967-0.968 |
| Refractive Index | 1.475-1.485 |
3-(Methylthio)hexanal; 38433-74-8; 3-Methylthiohexanal; Hexanal, 3-(methylthio)-; 3-(METHYLSULFANYL)HEXANAL; EINECS 253-929-0; 1U9V3213BJ; FEMA NO. 3877; DTXSID80865912; 3-METHYLTHIOHEXANAL [FHFI]; 3-Methylthiohexaldehyde; RefChem:504367; DTXCID60814266; (+-)-3-METHYLTHIOHEXANAL; 3-METHYLTHIOHEXANAL, (+-)-; 253-929-0
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green 3-METHYLTHIOHEXENAL |
|---|---|
| GHS notification summary | 87.8% (79 / 90) |
| GHS notification summary | 87.8% (79 / 90) |
|---|---|
| Reported hazard statements | H319 (12.2%) |
This chemical does not meet GHS hazard criteria for 87.8% (79 of 90) of all reports.
H319 (12.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-Methylthio hexanal is identified by CAS 38433-74-8, molecular formula C7H14OS and molecular weight 146.08 g/mol. UNII 1U9V3213BJ; ChEBI 173390; InChIKey VIVJHDGDCOQORO-UHFFFAOYSA-N. Boiling Point: 206.00 to 207.00 °C. @ 760.00 mm Hg; Boiling Point: 81 °C; Density: 0.967-0.968.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Methylthio hexanal