S-甲基4-甲基硫代戊酸酯（CAS 61122-71-2）：分子式 C7H14OS、分子量 146.25。
| CAS号 | 61122-71-2 |
|---|---|
| 分子式 | C7H14OS |
| 分子量 | 146.25 |
| 沸点 | 110.00 to 112.00 °C. @ 20.00 mm Hg |
| LogP | 2.3 |
S-甲基4-甲基硫代戊酸酯 是一种化工化合物，登记 CAS 号为 61122-71-2，分子式 C7H14OS（分子量 146.25）。
登记 CAS 号：61122-71-2
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：S-甲基4-甲基硫代戊酸酯 · S-methyl 4-methylpentanethioate
S-甲基4-甲基硫代戊酸酯 的 CAS 登记号为 61122-71-2。
分子式 C7H14OS，分子量 146.25。
别名/同义词：S-甲基4-甲基硫代戊酸酯、S-methyl 4-methylpentanethioate。
S-甲基4-甲基硫代戊酸酯（CAS 61122-71-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 61122-71-2 |
|---|---|
| PubChem CID | 46779070 |
| Molecular formula | C7H14OS |
| IUPAC name | S-methyl 4-methylpentanethioate |
| UNII (FDA) | 011EVD3QYF |
| FEMA number | 3867 |
| JECFA number | 488 |
| Molecular Weight | 146.25 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.07653624 |
| Monoisotopic Mass | 146.07653624 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 9 |
| Boiling Point | 110.00 to 112.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 110-112 °C (20 mm Hg) |
| Density | 0.832-0.837 |
| Refractive Index | 1.472-1.478 |
S-Methyl 4-methylpentanethioate; 61122-71-2; 011EVD3QYF; Pentanethioic acid, 4-methyl-, S-methyl ester; FEMA NO. 3867; DTXSID20210008; 4-METHYL-1-(METHYLSULFANYL)PENTAN-1-ONE; S-METHYL 4-METHYLPENTANETHIOATE [FHFI]; RefChem:884255; DTXCID80132499; Pentanethioic acid, 4-methyl, S-methyl ester; 612-089-9; UNII-011EVD3QYF; S-Methyl4-methylpentanethioate; SCHEMBL20378736; FEMA 3867
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
S-methyl 4-methylpentanethioate · CAS 61122-71-2 · C7H14OS. UNII 011EVD3QYF. Boiling Point: 110.00 to 112.00 °C. @ 20.00 mm Hg; Boiling Point: 110-112 °C (20 mm Hg); Density: 0.832-0.837.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: S-methyl 4-methylpentanethioate