丁基氨基甲酸碘丙炔酯 (CAS 55406-53-6) — formula C8H12INO2, molecular weight 281.09.
丁基氨基甲酸碘丙炔酯 is a chemical compound with CAS registry number 55406-53-6 and molecular formula C8H12INO2 (molecular weight 281.09).
CAS number: 55406-53-6
Its molecular formula C8H12INO2 comprises 8 C, 12 H, 1 I, 1 N, 2 O atoms.
Also known as: 丁基氨基甲酸碘丙炔酯 · Iodopropynyl butylcarbamate
The CAS registry number of 丁基氨基甲酸碘丙炔酯 is 55406-53-6.
Molecular formula C8H12INO2, molecular weight 281.09.
It is also registered under: 丁基氨基甲酸碘丙炔酯, Iodopropynyl butylcarbamate.
Public-database records for 丁基氨基甲酸碘丙炔酯 (CAS 55406-53-6), reproduced here for independent cross-checking.
| GHS 通报统计 | 0.3% (6 / 1729) |
|---|---|
| 已通报的危害声明 | H302, H317, H318, H331, H372, H400, H410, H332 (25.6%) |
| 法规与食品接触 | FDA 21 CFR 中列出的食品接触物质清单：FCS 3-IODO-2-PROPYNYL-N-BUTYL CARBAMATE CIR / INCI: Cosmetic ingredients (Iodopropynyl Butylcarbamate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Cosmetic ingredients (Iodopropynyl Butylcarbamate (IPBC)) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative |
|---|---|
| GHS 通报统计 | 0.3% (6 / 1729) |
| 熔点 | 66 °C |
|---|---|
| 溶解度 | In water, 156 mg/L at 20 °C |
| 密度 | 1.575 g/mL |
| 密度 | 1.575 @25 °C |
| 蒸气压 | 0.0000525 [mmHg] |
| 蒸气压 | 5.25X10-5 mm Hg at 30 °C |
| 蒸气压 | 0.0000525 [mm Hg] @30 °C |
| CAS 号 | 55406-53-6 |
|---|---|
| PubChem CID | 62097 |
| 分子式 | C8H12INO2 |
| 分子量 | 280.99 g/mol |
| IUPAC 名称 | 3-iodoprop-2-ynyl N-butylcarbamate |
| InChIKey | WYVVKGNFXHOCQV-UHFFFAOYSA-N |
| UNII（FDA） | 603P14DHEB |
| ChEBI 编号 | CHEBI:83279 |
55406-53-6; Iodopropynyl butylcarbamate; 3-Iodo-2-propynyl butylcarbamate; Ipbc; Woodlife; Troysan KK-108A; Caswell No. 501A; Butyl-3-iodo-2-propynylcarbamate; 3-Iodo-2-propynyl butyl carbamate; 3-iodoprop-2-yn-1-yl N-butylcarbamate; 603P14DHEB; 3-iodo-2-propynyl-butylcarbamate; 3-iodo-2-propyn-1-yl N-butylcarbamate; Carbamic acid, butyl-3-iodo-2-propynyl ester; 3-iodoprop-2-ynyl butylcarbamate; 3-IPBC
| 分子量 | 281.09 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 280.99128 |
| 单同位素质量 | 280.99128 |
| 拓扑极性表面积 | 38.3 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
3-碘-2丙炔基-N-正丁基氨基甲酸酯 IPBC 的 CAS 号为 55406-53-6，分子式 C8H12INO2，分子量 280.99 g/mol。 UNII 603P14DHEB; ChEBI 83279; InChIKey WYVVKGNFXHOCQV-UHFFFAOYSA-N. 熔点: 66 °C; 溶解度: In water, 156 mg/L at 20 °C; 密度: 1.575 g/mL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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