3-甲基硫代丁酸甲酯（CAS 23747-45-7）：分子式 C6H12OS、分子量 132.23。
| CAS号 | 23747-45-7 |
|---|---|
| 分子式 | C6H12OS |
| 分子量 | 132.23 |
| 沸点 | 157.00 to 158.00 °C. @ 760.00 mm Hg |
| LogP | 1.9 |
3-甲基硫代丁酸甲酯 是一种化工化合物，登记 CAS 号为 23747-45-7，分子式 C6H12OS（分子量 132.23）。
登记 CAS 号：23747-45-7
其分子式 C6H12OS 由 6 个碳、12 个氢、1 个氧、1 个硫 组成。
别名/同义词：3-甲基硫代丁酸甲酯 · S-methyl 3-methylbutanethioate
3-甲基硫代丁酸甲酯 的 CAS 登记号为 23747-45-7。
分子式 C6H12OS，分子量 132.23。
别名/同义词：3-甲基硫代丁酸甲酯、S-methyl 3-methylbutanethioate。
3-甲基硫代丁酸甲酯（CAS 23747-45-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 23747-45-7 |
|---|---|
| PubChem CID | 90246 |
| Molecular formula | C6H12OS |
| Molecular weight | 132.06 g/mol |
| IUPAC name | S-methyl 3-methylbutanethioate |
| InChIKey | MPLWTJZAFOVXKP-UHFFFAOYSA-N |
| UNII (FDA) | UB23WZ59H0 |
| ChEBI ID | CHEBI:89436 |
| FEMA number | 3864 |
| JECFA number | 487 |
| Molecular Weight | 132.23 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 132.06088618 |
| Monoisotopic Mass | 132.06088618 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 8 |
| Boiling Point | 157.00 to 158.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 157 °C |
| Density | 0.935-0.940 |
| Refractive Index | 1.455-1.461 |
S-Methyl 3-methylbutanethioate; 23747-45-7; s-methyl thioisovalerate; Butanethioic acid, 3-methyl-, S-methyl ester; Methanethiol isovalerate; S-Methyl 3-methylthiobutyrate; UNII-UB23WZ59H0; UB23WZ59H0; EINECS 245-863-6; METHYLTHIOL ISOVALERATE; DTXSID3066928; FEMA NO. 3864; 3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE; S-METHYL 3-METHYLBUTANETHIOATE [FHFI]; BUTYRIC ACID, 3-METHYLTHIO-, S-METHYL ESTER; RefChem:180678
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy 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 3-methylbutanethioate is identified by CAS 23747-45-7, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII UB23WZ59H0; ChEBI 89436; InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N. Boiling Point: 157.00 to 158.00 °C. @ 760.00 mm Hg; Boiling Point: 157 °C; Density: 0.935-0.940.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: S-methyl 3-methylbutanethioate