S-Isopropyl 3-methylthiocrotonate (CAS 34365-79-2) — formula C8H14OS, molecular weight 158.26; category organic chemicals.
| CAS Number | 34365-79-2 |
|---|---|
| Molecular Formula | C8H14OS |
| Molecular Weight | 158.26 |
| Boiling Point | 236.00 °C. @ 760.00 mm Hg |
| LogP | 2.9 |
| Category | Organic Chemicals |
S-Isopropyl 3-methylthiocrotonate is a carbon-based organic compound with CAS registry number 34365-79-2 and molecular formula C8H14OS (molecular weight 158.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34365-79-2
Its molecular formula C8H14OS comprises 8 C, 14 H, 1 O, 1 S atoms.
Also known as: S-Isopropyl 3-methylthiocrotonate · 3-甲基硫代巴豆酸S-异丙酯
Category: organic chemicals
The CAS registry number of S-Isopropyl 3-methylthiocrotonate is 34365-79-2.
Molecular formula C8H14OS, molecular weight 158.26.
It is also registered under: S-Isopropyl 3-methylthiocrotonate, 3-甲基硫代巴豆酸S-异丙酯.
Category: Organic Chemicals.
Independent reference data for S-Isopropyl 3-methylthiocrotonate (CAS 34365-79-2), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基硫代巴豆酸S-异丙酯