4-Methyl-4-(methylthio)pentan-2-one (CAS 23550-40-5) — formula C7H14OS, molecular weight 146.25; category organic chemicals.
4-Methyl-4-(methylthio)pentan-2-one is a carbon-based organic compound with CAS registry number 23550-40-5 and molecular formula C7H14OS (molecular weight 146.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 23550-40-5
Its molecular formula C7H14OS comprises 7 C, 14 H, 1 O, 1 S atoms.
Also known as: 4-Methyl-4-(methylthio)pentan-2-one · 4-(Methylthio)-4-methyl-2-pentanone
Category: organic chemicals
The CAS registry number of 4-Methyl-4-(methylthio)pentan-2-one is 23550-40-5.
Molecular formula C7H14OS, molecular weight 146.25.
It is also registered under: 4-Methyl-4-(methylthio)pentan-2-one, 4-(Methylthio)-4-methyl-2-pentanone.
Category: Organic Chemicals.
Public-database records for 4-Methyl-4-(methylthio)pentan-2-one (CAS 23550-40-5), reproduced here for independent cross-checking.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.