Isopropyl isothiocyanate (CAS 2253-73-8) — formula C4H7NS, molecular weight 101.03 g/mol; category organic chemicals.
Isopropyl isothiocyanate (CAS 2253-73-8) is a organic chemicals. Its molecular formula C4H7NS comprises 4 C, 7 H, 1 N, 1 S atoms. Its molecular weight is about 101.03 g/mol. Reported physicochemical data: boiling point around 68-70 °C (67 mm Hg), LogP about 2.4. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. 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 | 2253-73-8 |
|---|---|
| Molecular Formula | C4H7NS |
| Molecular Weight | 101.03 g/mol |
| Boiling Point | 68-70 °C (67 mm Hg) |
| LogP | 2.4 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. 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 | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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.
Isopropyl isothiocyanate is a carbon-based organic compound with CAS registry number 2253-73-8 and molecular formula C4H7NS (molecular weight 101.03 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2253-73-8
Its molecular formula C4H7NS comprises 4 C, 7 H, 1 N, 1 S atoms.
Also known as: Isopropyl isothiocyanate · 异硫氰酸异丙酯
Category: organic chemicals / food flavors
The CAS registry number of Isopropyl isothiocyanate is 2253-73-8.
Molecular formula C4H7NS, molecular weight 101.03 g/mol.
It is also registered under: Isopropyl isothiocyanate, 异硫氰酸异丙酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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: Organic Chemicals / 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 Isopropyl isothiocyanate (CAS 2253-73-8), compiled from public chemistry databases.
| CAS Registry Number | 2253-73-8 |
|---|---|
| PubChem CID | 75263 |
| Molecular formula | C4H7NS |
| Molecular weight | 101.03 g/mol |
| IUPAC name | 2-isothiocyanatopropane |
| InChIKey | VHBFEIBMZHEWSX-UHFFFAOYSA-N |
| UNII (FDA) | 46561PKP9T |
| FEMA number | 4425 |
| JECFA number | 1888 |
| Molecular Weight | 101.17 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 101.02992040 |
| Monoisotopic Mass | 101.02992040 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 6 |
| Boiling Point | 68-70 °C (67 mm Hg) |
|---|---|
| Density | 0.947-0.955 |
| Refractive Index | 1.489-1.497 |
Isopropyl isothiocyanate; 2253-73-8; 2-Isothiocyanatopropane; Putranjivine; 46561PKP9T; FEMA NO. 4425; DTXSID60177045; RefChem:149823; DTXCID4099536; 218-851-3; isopropylisothiocyanate; Propane, 2-isothiocyanato-; Isothiocyanic Acid Isopropyl Ester; Isothiocyanic acid, isopropyl ester; MFCD00037830; propan-2-isothiocyanate
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Savory No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/123 ">FAS 60-JECFA 69/625 |
|---|
| Reported hazard statements | H226 (95.8%), H314 (10.4%), H315 (89.6%), H319 (89.6%), H335 (87.5%) |
|---|
H226 (95.8%): Flammable liquid and vapor [Warning Flammable liquids]
H314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Isopropyl isothiocyanate is identified by CAS 2253-73-8, molecular formula C4H7NS and molecular weight 101.03 g/mol. UNII 46561PKP9T; InChIKey VHBFEIBMZHEWSX-UHFFFAOYSA-N. Boiling Point: 68-70 °C (67 mm Hg); Density: 0.947-0.955; Refractive Index: 1.489-1.497.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异硫氰酸异丙酯