5-己烯基异硫氰酸酯（CAS 49776-81-0）：分子式 C7H11NS、分子量 141.24。
| CAS号 | 49776-81-0 |
|---|---|
| 分子式 | C7H11NS |
| 分子量 | 141.24 |
| 沸点 | 213.00 to 214.00 °C. @ 760.00 mm Hg |
| LogP | 3.4 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index。
5-己烯基异硫氰酸酯 是一种化工化合物，登记 CAS 号为 49776-81-0，分子式 C7H11NS（分子量 141.24）。
登记 CAS 号：49776-81-0
其分子式 C7H11NS 由 7 个碳、11 个氢、1 个氮、1 个硫 组成。
别名/同义词：5-己烯基异硫氰酸酯 · 5-Hexenyl isothiocyanate
5-己烯基异硫氰酸酯 的 CAS 登记号为 49776-81-0。
分子式 C7H11NS，分子量 141.24。
别名/同义词：5-己烯基异硫氰酸酯、5-Hexenyl isothiocyanate。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index。
5-己烯基异硫氰酸酯（CAS 49776-81-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 49776-81-0 |
|---|---|
| PubChem CID | 184852 |
| Molecular formula | C7H11NS |
| Molecular weight | 141.06 g/mol |
| IUPAC name | 6-isothiocyanatohex-1-ene |
| InChIKey | WRFHVMFZOJHYGN-UHFFFAOYSA-N |
| UNII (FDA) | G1Q3G6DQPO |
| FEMA number | 4421 |
| JECFA number | 1894 |
| Molecular Weight | 141.24 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 141.06122053 |
| Monoisotopic Mass | 141.06122053 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 9 |
| Boiling Point | 213.00 to 214.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 74-76 °C (3 mm Hg) |
| Density | 0.955-0.965 (20 °C) |
| Refractive Index | 1.506-1.516 |
5-hexenyl isothiocyanate; 49776-81-0; 6-Isothiocyanato-1-hexene; 5-HEXEN-1-YL ISOTHIOCYANATE; 1-Hexene, 6-isothiocyanato-; FEMA No. 4421; G1Q3G6DQPO; DTXSID90198041; 5-HeITC; RefChem:102715; DTXCID20120532; 6-isothiocyanatohex-1-ene; CHEMBL3593944; UNII-G1Q3G6DQPO; 5-Hexenyl isothiocyanate [FIFH]; SCHEMBL2680018
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/125 ">FAS 60-JECFA 69/625 |
|---|
5-Hexenyl isothiocyanate is identified by CAS 49776-81-0, molecular formula C7H11NS and molecular weight 141.06 g/mol. UNII G1Q3G6DQPO; InChIKey WRFHVMFZOJHYGN-UHFFFAOYSA-N. Boiling Point: 213.00 to 214.00 °C. @ 760.00 mm Hg; Boiling Point: 74-76 °C (3 mm Hg); Density: 0.955-0.965 (20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 5-Hexenyl isothiocyanate