Butyl Isothiocyanate (CAS 592-82-5) — formula C5H9NS, molecular weight 115.05 g/mol; category food flavors.
Butyl Isothiocyanate (CAS 592-82-5) is a food flavors. Its molecular formula C5H9NS comprises 5 C, 9 H, 1 N, 1 S atoms. Its molecular weight is about 115.05 g/mol. Reported physicochemical data: boiling point around 168.00 °C. @ 760.00 mm Hg, LogP about 2.92. 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 | 592-82-5 |
|---|---|
| Molecular Formula | C5H9NS |
| Molecular Weight | 115.05 g/mol |
| Boiling Point | 168.00 °C. @ 760.00 mm Hg |
| LogP | 2.92 |
| 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.
Butyl Isothiocyanate is a flavoring compound with CAS registry number 592-82-5 and molecular formula C5H9NS (molecular weight 115.05 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 592-82-5
Its molecular formula C5H9NS comprises 5 C, 9 H, 1 N, 1 S atoms.
Also known as: Butyl Isothiocyanate · 丁基异硫氰酸酯
Category: food flavors
The CAS registry number of Butyl Isothiocyanate is 592-82-5.
Molecular formula C5H9NS, molecular weight 115.05 g/mol.
It is also registered under: Butyl Isothiocyanate, 丁基异硫氰酸酯.
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 Butyl Isothiocyanate (CAS 592-82-5), compiled from public chemistry databases.
| CAS Registry Number | 592-82-5 |
|---|---|
| PubChem CID | 11613 |
| Molecular formula | C5H9NS |
| Molecular weight | 115.05 g/mol |
| IUPAC name | 1-isothiocyanatobutane |
| InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N |
| UNII (FDA) | 4Y31800S6C |
| ChEBI ID | CHEBI:50534 |
| FEMA number | 4082 |
| JECFA number | 1561 |
| Molecular Weight | 115.20 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 115.04557046 |
| Monoisotopic Mass | 115.04557046 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 7 |
| Boiling Point | 168.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 167 °C |
| Density | 0.952-0.958 |
| LogP | 2.92 |
| Refractive Index | 1.492-1.498 |
Butyl isothiocyanate; 592-82-5; 1-Isothiocyanatobutane; n-Butyl isothiocyanate; Butane, 1-isothiocyanato-; ISOTHIOCYANIC ACID, BUTYL ESTER; CHEBI:50534; 4Y31800S6C; NSC-194808; DTXSID7060467; FEMA NO. 4082; tBITC cpd; RefChem:122264; DTXCID6042575; 209-770-4; Butylisothiocyanate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Pungent, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H301 (65.6%), H302 (34.4%), H311 (64.4%), H312 (34.4%), H314 (98.8%), H317 (31.9%), H318 (30%), H330 (65%) |
|---|
H301 (65.6%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (34.4%): Harmful if swallowed [Warning Acute toxicity, oral]
Butyl Isothiocyanate is identified by CAS 592-82-5, molecular formula C5H9NS and molecular weight 115.05 g/mol. UNII 4Y31800S6C; ChEBI 50534; InChIKey LIMQQADUEULBSO-UHFFFAOYSA-N. Boiling Point: 168.00 °C. @ 760.00 mm Hg; Boiling Point: 167 °C; Density: 0.952-0.958.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁基异硫氰酸酯