S-isopropyl 3-methylthiobutyrate (CAS 34322-06-0) — formula C8H16OS, molecular weight 160.28; category organic chemicals.
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester: ACTIVE.
S-isopropyl 3-methylthiobutyrate is a carbon-based organic compound with CAS registry number 34322-06-0 and molecular formula C8H16OS (molecular weight 160.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34322-06-0
Its molecular formula C8H16OS comprises 8 C, 16 H, 1 O, 1 S atoms.
Also known as: S-isopropyl 3-methylthiobutyrate · ISOPROPYL THIOISOVALERATE
Category: organic chemicals
The CAS registry number of S-isopropyl 3-methylthiobutyrate is 34322-06-0.
Molecular formula C8H16OS, molecular weight 160.28.
It is also registered under: S-isopropyl 3-methylthiobutyrate, ISOPROPYL THIOISOVALERATE.
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester: ACTIVE.
Category: Organic Chemicals.
Public-database records for S-isopropyl 3-methylthiobutyrate (CAS 34322-06-0), reproduced here for independent cross-checking.
| Reported hazard statements | H226 (100%), H315 (78.1%), H319 (78.1%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (78.1%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 34322-06-0 |
|---|---|
| PubChem CID | 118641 |
| 分子式 | C8H16OS |
| IUPAC 名称 | S-propan-2-yl 3-methylbutanethioate |
| UNII（FDA） | 5M3JN5QUG5 |
S-Isopropyl 3-methylbutanethioate; S-Isopropyl 3-methylthiobutyrate; Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester; EINECS 251-936-3; 5M3JN5QUG5; DTXSID6067832; RefChem:122071; DTXCID6038823; 251-936-3; 34322-06-0; S-propan-2-yl 3-methylbutanethioate; 3-Methylthiobutyric acid, S-isopropyl ester; S-1-Methylethyl 3-methylbutanethioate; 3-Methyl-Butanethioic Acid S-(1-Methylethyl) Ester; UNII-5M3JN5QUG5; SCHEMBL15796358
| 分子量 | 160.28 |
|---|---|
| XLogP3 | 2.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 160.09218630 |
| 单同位素质量 | 160.09218630 |
| 拓扑极性表面积 | 42.4 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
S-isopropyl 3-methylthiobutyrate · CAS 34322-06-0 · C8H16OS. UNII 5M3JN5QUG5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.