Prenyl mercaptan（CAS 5287-45-6）：分子式 C5H10S、分子量 102.05 g/mol。
| CAS号 | 5287-45-6 |
|---|---|
| 分子式 | C5H10S |
| 分子量 | 102.05 g/mol |
| 沸点 | 128.00 to 135.00 °C. @ 760.00 mm Hg |
| LogP | 2 |
Prenyl mercaptan 是一种化工化合物，登记 CAS 号为 5287-45-6，分子式 C5H10S（分子量 102.05 g/mol）。
登记 CAS 号：5287-45-6
其分子式 C5H10S 由 5 个碳、10 个氢、1 个硫 组成。
别名/同义词：Prenyl mercaptan · Prenylthiol · 3-Methyl-2-buten-1-thiol
Prenyl mercaptan 的 CAS 登记号为 5287-45-6。
分子式 C5H10S，分子量 102.05 g/mol。
别名/同义词：Prenyl mercaptan、Prenylthiol、3-Methyl-2-buten-1-thiol。
Prenyl mercaptan（CAS 5287-45-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 5287-45-6 |
|---|---|
| PubChem CID | 146586 |
| Molecular formula | C5H10S |
| Molecular weight | 102.05 g/mol |
| IUPAC name | 3-methylbut-2-ene-1-thiol |
| InChIKey | GYDPOKGOQFTYGW-UHFFFAOYSA-N |
| UNII (FDA) | FDG262156U |
| ChEBI ID | CHEBI:169260 |
| FEMA number | 3896 |
| JECFA number | 522 |
| Molecular Weight | 102.20 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.05032149 |
| Monoisotopic Mass | 102.05032149 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 6 |
| Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 128-135 °C |
| Density | 0.884-0.885 |
| Refractive Index | 1.483-1.493 |
5287-45-6; 3-methylbut-2-ene-1-thiol; Prenylthiol; 3-Methyl-2-butene-1-thiol; Prenyl mercaptan; FDG262156U; FEMA NO. 3896; DTXSID00200907; RefChem:868485; DTXCID90123398; 610-907-9; 3-methyl-2-buten-1-thiol; 1-Mercapto-3-methyl-2-butene; 2-Butene-1-thiol, 3-methyl-; 3-Methyl-1-mercapto-2-butene; 3-methyl-2-butenethiol
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Coffee, Foxy, Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H302 (26.2%), H315 (75%), H319 (75%), H335 (75%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (26.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Prenyl mercaptan is identified by CAS 5287-45-6, molecular formula C5H10S and molecular weight 102.05 g/mol. UNII FDG262156U; ChEBI 169260; InChIKey GYDPOKGOQFTYGW-UHFFFAOYSA-N. Boiling Point: 128.00 to 135.00 °C. @ 760.00 mm Hg; Boiling Point: 128-135 °C; Density: 0.884-0.885.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Prenyl mercaptan