3-(Methylthio)-1-hexanol(CAS 51755-66-9):分子式 C7H16OS、分子量 148.09 g/mol。
3-(Methylthio)-1-hexanol 是一种化工化合物,登记 CAS 号为 51755-66-9,分子式 C7H16OS(分子量 148.09 g/mol)。
登记 CAS 号:51755-66-9
其分子式 C7H16OS 由 7 个碳、16 个氢、1 个氧、1 个硫 组成。
别名/同义词:3-(Methylthio)-1-hexanol · 3-METHYLTHIO-1-HEXANOL
3-(Methylthio)-1-hexanol 的 CAS 登记号为 51755-66-9。
分子式 C7H16OS,分子量 148.09 g/mol。
别名/同义词:3-(Methylthio)-1-hexanol、3-METHYLTHIO-1-HEXANOL。
3-(Methylthio)-1-hexanol(CAS 51755-66-9)的公开数据库记录,列此仅供独立核对。
| GHS notification summary | 1.8% (27 / 1475) |
|---|---|
| Reported hazard statements | H315 (91.1%), H319 (91.3%), H335 (98.1%) |
This chemical does not meet GHS hazard criteria for 1.8% (27 of 1475) of reports.
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Fruit, Melon No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.8% (27 / 1475) |
| 沸点 | 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg) |
|---|---|
| 密度 | 0.964-0.974 (20 °C) |
| 折射率 | 1.474-1.489 |
| CAS Registry Number | 51755-66-9 |
|---|---|
| PubChem CID | 65413 |
| 分子式 | C7H16OS |
| 分子量 | 148.09 g/mol |
| IUPAC 名称 | 3-methylsulfanylhexan-1-ol |
| InChIKey | JSASXSHMJYRPCM-UHFFFAOYSA-N |
| UNII(FDA) | CFU4A74TQT |
| FEMA 编号 | 3438 |
| JECFA 编号 | 463 |
3-(Methylthio)-1-hexanol; 51755-66-9; 3-(Methylthio)hexan-1-ol; 3-methylsulfanylhexan-1-ol; 1-Hexanol, 3-(methylthio)-; 3-(Methylmercapto)-1-hexanol; FEMA No. 3438; CFU4A74TQT; 3-methylthio-1-hexanol; 3-(methyl thio) hexanol; EINECS 257-380-8; AI3-37114; 3-METHYLTHIO-1-HEXANOL [FHFI]; RefChem:495589; (+-)-3-(METHYLTHIO)-1-HEXANOL; 3-(METHYLTHIO)-1-HEXANOL, (+-)
| 分子量 | 148.27 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 148.09218630 |
| 单同位素质量 | 148.09218630 |
| 拓扑极性表面积 | 45.5 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
3-(Methylthio)-1-hexanol is identified by CAS 51755-66-9, molecular formula C7H16OS and molecular weight 148.09 g/mol. UNII CFU4A74TQT; InChIKey JSASXSHMJYRPCM-UHFFFAOYSA-N. 沸点: 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg); 密度: 0.964-0.974 (20 °C); Refractive Index: 1.474-1.489.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。