异硫氰酸异丙酯（CAS 2253-73-8）：分子式 C4H7NS、分子量 101.17。
| CAS号 | 2253-73-8 |
|---|---|
| 分子式 | C4H7NS |
| 分子量 | 101.17 |
| 沸点 | 68-70 °C (67 mm Hg) |
| LogP | 2.4 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index。
异硫氰酸异丙酯 是一种化工化合物，登记 CAS 号为 2253-73-8，分子式 C4H7NS（分子量 101.17）。
登记 CAS 号：2253-73-8
其分子式 C4H7NS 由 4 个碳、7 个氢、1 个氮、1 个硫 组成。
别名/同义词：异硫氰酸异丙酯 · Isopropyl isothiocyanate
异硫氰酸异丙酯 的 CAS 登记号为 2253-73-8。
分子式 C4H7NS，分子量 101.17。
别名/同义词：异硫氰酸异丙酯、Isopropyl isothiocyanate。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index。
异硫氰酸异丙酯（CAS 2253-73-8）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isopropyl isothiocyanate