5-己烯基异硫氰酸酯，CAS 登记号 49776-81-0，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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本页已列出 5-己烯基异硫氰酸酯 的 CAS 号：49776-81-0，可与随货 COA 核对。
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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).
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 49776-81-0; molecular formula C7H11NS; molecular weight 141.06 g/mol.
5-hexenyl isothiocyanate, 49776-81-0, 6-Isothiocyanato-1-hexene, 5-HEXEN-1-YL ISOTHIOCYANATE, 1-Hexene, 6-isothiocyanato-, FEMA No. 4421.
Documented regulatory listings: 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.
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.