4-Methyl-4-(methylthio)pentan-2-one(CAS 23550-40-5):分子式 C7H14OS、分子量 146.25;类别 有机化学品。
4-Methyl-4-(methylthio)pentan-2-one 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 23550-40-5,分子式 C7H14OS(分子量 146.25),归属于有机化学品大类化工原料。
登记 CAS 号:23550-40-5
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:4-Methyl-4-(methylthio)pentan-2-one · 4-(Methylthio)-4-methyl-2-pentanone
所属分类:有机化学品
4-Methyl-4-(methylthio)pentan-2-one 的 CAS 登记号为 23550-40-5。
分子式 C7H14OS,分子量 146.25。
别名/同义词:4-Methyl-4-(methylthio)pentan-2-one、4-(Methylthio)-4-methyl-2-pentanone。
所属分类:Organic Chemicals。
4-Methyl-4-(methylthio)pentan-2-one(CAS 23550-40-5)的公开数据库记录,列此仅供独立核对。
| GHS notification summary | 90.2% (110 / 122) |
|---|
This chemical does not meet GHS hazard criteria for 90.2% (110 of 122) of all reports.
Reported as not meeting GHS hazard criteria by 110 of 122 companies (only 9.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 90.2% (110 / 122) |
| 沸点 | 78.00 °C. @ 15.00 mm Hg |
|---|---|
| 沸点 | 84 °C (12 mm Hg); 78 °C (15 mm Hg) |
| 密度 | 0.964 |
| 折射率 | 1.475-1.485 |
| CAS Registry Number | 23550-40-5 |
|---|---|
| PubChem CID | 4682590 |
| 分子式 | C7H14OS |
| IUPAC 名称 | 4-methyl-4-methylsulfanylpentan-2-one |
| UNII(FDA) | G69HK72Q3Y |
| FEMA 编号 | 3376 |
| JECFA 编号 | 500 |
23550-40-5; 4-Methylthio-4-methyl-2-pentanone; 2-Pentanone, 4-methyl-4-(methylthio)-; 4-Methyl-4-(methylthio)-2-pentanone; 4-Methyl-4-(methylthio)pentan-2-one; cassis pentanone; FEMA No. 3376; 4-(Methylthio)-4-methyl-2-pentanone; 4-methyl-4-(methylsulfanyl)pentan-2-one; EINECS 245-727-6; G69HK72Q3Y; 4-Methylmercapto-4-methylpentan-2-one; DTXSID0066905; 4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]; RefChem:525292; DTXCID5036894
| 分子量 | 146.25 |
|---|---|
| XLogP3 | 1.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 146.07653624 |
| 单同位素质量 | 146.07653624 |
| 拓扑极性表面积 | 42.4 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
4-Methyl-4-(methylthio)pentan-2-one · CAS 23550-40-5 · C7H14OS. UNII G69HK72Q3Y. 沸点: 78.00 °C. @ 15.00 mm Hg; 沸点: 84 °C (12 mm Hg); 78 °C (15 mm Hg); 密度: 0.964.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。