Butyl Isothiocyanate (CAS No. 592-82-5) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
| 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 |
| Purity | 按批次COA提供(不公开发布) |
| Packaging | 按订单/批次确认(不公开发布) |
| Applications | Flavors |
| Category | Flavors |
Flavors
COA (Certificate of Analysis) is provided with every batch. MSDS/technical data sheets and third-party test reports are available on request. Purity and packaging are subject to batch COA and order confirmation.
The CAS number of Butyl Isothiocyanate is 592-82-5.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Flavors.
Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..
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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 592-82-5; molecular formula C5H9NS; molecular weight 115.05 g/mol.
Butyl isothiocyanate, 592-82-5, 1-Isothiocyanatobutane, n-Butyl isothiocyanate, Butane, 1-isothiocyanato-, ISOTHIOCYANIC ACID, BUTYL ESTER.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H301, H302, H311, H312, H314.
Boiling Point: 168.00 °C. @ 760.00 mm Hg; Boiling Point: 167 °C; Density: 0.952-0.958; LogP: 2.92.
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.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁基异硫氰酸酯