5-Hexenyl isothiocyanate (CAS 49776-81-0) — formula C7H11NS, molecular weight 141.06 g/mol; category food flavors.
5-Hexenyl isothiocyanate (CAS 49776-81-0) is a chemical raw material in the food flavors category. Its molecular formula C7H11NS comprises 7 C, 11 H, 1 N, 1 S atoms. Its molecular weight is about 141.06 g/mol. Reported physicochemical data: boiling point around 213.00 to 214.00 °C. @ 760.00 mm Hg, LogP about 3.4. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 49776-81-0 |
|---|---|
| Molecular Formula | C7H11NS |
| Molecular Weight | 141.06 g/mol |
| Boiling Point | 213.00 to 214.00 °C. @ 760.00 mm Hg |
| LogP | 3.4 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
5-Hexenyl isothiocyanate is a flavoring compound with CAS registry number 49776-81-0 and molecular formula C7H11NS (molecular weight 141.06 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 49776-81-0
Its molecular formula C7H11NS comprises 7 C, 11 H, 1 N, 1 S atoms.
Also known as: 5-Hexenyl isothiocyanate · 5-己烯基异硫氰酸酯
Category: food flavors
The CAS registry number of 5-Hexenyl isothiocyanate is 49776-81-0.
Molecular formula C7H11NS, molecular weight 141.06 g/mol.
It is also registered under: 5-Hexenyl isothiocyanate, 5-己烯基异硫氰酸酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 5-Hexenyl isothiocyanate (CAS 49776-81-0), compiled from public chemistry databases.
| 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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-己烯基异硫氰酸酯