3-甲基硫代巴豆酸S-异丙酯（CAS 34365-79-2）：分子式 C8H14OS、分子量 158.26。
| CAS号 | 34365-79-2 |
|---|---|
| 分子式 | C8H14OS |
| 分子量 | 158.26 |
| 沸点 | 236.00 °C. @ 760.00 mm Hg |
| LogP | 2.9 |
3-甲基硫代巴豆酸S-异丙酯 是一种化工化合物，登记 CAS 号为 34365-79-2，分子式 C8H14OS（分子量 158.26）。
登记 CAS 号：34365-79-2
其分子式 C8H14OS 由 8 个碳、14 个氢、1 个氧、1 个硫 组成。
别名/同义词：3-甲基硫代巴豆酸S-异丙酯 · S-Isopropyl 3-methylthiocrotonate
3-甲基硫代巴豆酸S-异丙酯 的 CAS 登记号为 34365-79-2。
分子式 C8H14OS，分子量 158.26。
别名/同义词：3-甲基硫代巴豆酸S-异丙酯、S-Isopropyl 3-methylthiocrotonate。
3-甲基硫代巴豆酸S-异丙酯（CAS 34365-79-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 34365-79-2 |
|---|---|
| PubChem CID | 118658 |
| Molecular formula | C8H14OS |
| IUPAC name | S-propan-2-yl 3-methylbut-2-enethioate |
| UNII (FDA) | NZT1CT5W8U |
| FEMA number | 4260 |
| JECFA number | 1679 |
| Molecular Weight | 158.26 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 158.07653624 |
| Monoisotopic Mass | 158.07653624 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 10 |
| Boiling Point | 236.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 235-236 °C |
| Density | 1.006-1.012 |
| Refractive Index | 1.486-1.492 |
34365-79-2; S-Isopropyl 3-methylbut-2-enethioate; S-Isopropyl 3-methylthiocrotonate; 2-Butenethioic acid, 3-methyl-, S-(1-methylethyl) ester; NZT1CT5W8U; S-1-Methylethyl 3-methylbut-2-enethioate; EINECS 251-966-7; DTXSID1067837; FEMA NO. 4260; s-isopropyl thiosenecioate; Crotonic acid, 3-methylthio-, S-isopropyl ester; 3-methyl-1-(propan-2-ylsulfanyl)but-2-en-1-one; S-ISOPROPYL 3-METHYL-2-BUTENETHIOATE; S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE [FHFI]; RefChem:884238; DTXCID6038829
| 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 | 6.6% (91 / 1378) |
| GHS notification summary | 6.6% (91 / 1378) |
|---|---|
| Reported hazard statements | H315 (93.4%), H319 (93.4%) |
This chemical does not meet GHS hazard criteria for 6.6% (91 of 1378) of reports.
H315 (93.4%): Causes skin irritation [Warning Skin corrosion/irritation]
S-Isopropyl 3-methylthiocrotonate · CAS 34365-79-2 · C8H14OS. UNII NZT1CT5W8U. Boiling Point: 236.00 °C. @ 760.00 mm Hg; Boiling Point: 235-236 °C; Density: 1.006-1.012.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: S-Isopropyl 3-methylthiocrotonate