2-,3-,10-巯基蒎烷(CAS 23832-18-0):分子式 C10H18S、分子量 170.32。
| CAS号 | 23832-18-0 |
|---|---|
| 分子式 | C10H18S |
| 分子量 | 170.32 |
| LogP | 3.1 |
2-,3-,10-巯基蒎烷 是一种化工化合物,登记 CAS 号为 23832-18-0,分子式 C10H18S(分子量 170.32)。
登记 CAS 号:23832-18-0
其分子式 C10H18S 由 10 个碳、18 个氢、1 个硫 组成。
别名/同义词:2-,3-,10-巯基蒎烷 · PINANYL MERCAPTAN
2-,3-,10-巯基蒎烷 的 CAS 登记号为 23832-18-0。
分子式 C10H18S,分子量 170.32。
别名/同义词:2-,3-,10-巯基蒎烷、PINANYL MERCAPTAN。
2-,3-,10-巯基蒎烷(CAS 23832-18-0)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 23832-18-0 |
|---|---|
| PubChem CID | 90984 |
| Molecular formula | C10H18S |
| Molecular weight | 170.11 g/mol |
| IUPAC name | 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol |
| InChIKey | ZPUCQOXKFCVYGL-UHFFFAOYSA-N |
| UNII (FDA) | X21X7U473C |
| FEMA number | 3503 |
| Molecular Weight | 170.32 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.11292175 |
| Monoisotopic Mass | 170.11292175 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 11 |
2-Mercaptopinane; 2-Pinanethiol; 23832-18-0; Pinanyl mercaptan; 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol; Pinane, 2-mercapto-; 2,3 or 10-Mercaptopinane; mango thiol; 2,6,6-Trimethylbicyclo(3.1.1)heptane-2-thiol; EINECS 245-900-6; NSC 76099; 2-Pinanethiol (6CI,8CI); BRN 4952941; Bicyclo(3.1.1)heptane-2-thiol, 2,6,6-trimethyl-; Bicyclo[3.1.1]heptane-2-thiol, 2,6,6-trimethyl-; AI3-51347
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 FAS 44-JECFA 53/125 |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (99.4%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
PINANYL MERCAPTAN is identified by CAS 23832-18-0, molecular formula C10H18S and molecular weight 170.11 g/mol. UNII X21X7U473C; InChIKey ZPUCQOXKFCVYGL-UHFFFAOYSA-N.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: PINANYL MERCAPTAN