2-戊硫醇(CAS 2084-19-7):分子式 C5H12S、分子量 104.22。
| CAS号 | 2084-19-7 |
|---|---|
| 分子式 | C5H12S |
| 分子量 | 104.22 |
| 沸点 | 113 °C |
| LogP | 2.2 |
2-戊硫醇 是一种化工化合物,登记 CAS 号为 2084-19-7,分子式 C5H12S(分子量 104.22)。
登记 CAS 号:2084-19-7
其分子式 C5H12S 由 5 个碳、12 个氢、1 个硫 组成。
别名/同义词:2-戊硫醇 · 2-Pentanethiol
2-戊硫醇 的 CAS 登记号为 2084-19-7。
分子式 C5H12S,分子量 104.22。
别名/同义词:2-戊硫醇、2-Pentanethiol。
2-戊硫醇(CAS 2084-19-7)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 2084-19-7 |
|---|---|
| PubChem CID | 62424 |
| Molecular formula | C5H12S |
| Molecular weight | 104.07 g/mol |
| IUPAC name | pentane-2-thiol |
| InChIKey | QUSTYFNPKBDELJ-UHFFFAOYSA-N |
| UNII (FDA) | 529XY6M4QX |
| ChEBI ID | CHEBI:173241 |
| FEMA number | 3792 |
| JECFA number | 514 |
| Molecular Weight | 104.22 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.06597156 |
| Monoisotopic Mass | 104.06597156 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 6 |
| Boiling Point | 113 °C |
|---|---|
| Density | 0.832 (d20/4) |
| Refractive Index | 1.442-1.452 |
2-Pentanethiol; Pentane-2-thiol; 1-Methylbutanethiol; 2-Mercaptopentane; sec-Amyl mercaptan; FEMA No. 3792; Amyl mercaptan, sec-; 529XY6M4QX; 2-Pentylthiol; UNII-529XY6M4QX; EINECS 218-224-4; 2-PENTANETHIOL [FHFI]; DTXSID00862827; RefChem:88963; DTXCID70811544; QUSTYFNPKBDELJ-UHFFFAOYSA-N
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H225 (100%), H315 (99.1%), H319 (99.1%), H335 (99.1%) |
|---|
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]
2-Pentanethiol is identified by CAS 2084-19-7, molecular formula C5H12S and molecular weight 104.07 g/mol. UNII 529XY6M4QX; ChEBI 173241; InChIKey QUSTYFNPKBDELJ-UHFFFAOYSA-N. Boiling Point: 113 °C; Density: 0.832 (d20/4); Refractive Index: 1.442-1.452.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 2-Pentanethiol