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 food flavors. 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. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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 | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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