Ethyl 6-isocyanatohexanoate
ALDRICH/495611 - 98%
CAS Number: 5100-36-7
Empirical Formula (Hill Notation): C9H15NO3
Molecular Weight: 185.22
MDL Number: MFCD00078410
Linear Formula: OCN(CH2)5CO2C2H5
Product Type: Chemical
| assay | 98% |
| bp | 253 °C (lit.) |
| density | 1.032 g/mL at 25 °C (lit.) |
| functional group | amine |
| ester | |
| isocyanate | |
| InChI | 1S/C9H15NO3/c1-2-13-9(12) |
| InChI key | ZCLBSYCOBSMTMV-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | CCOC(=O)CCCCCN=C=O |
| storage temp. | 2-8°C |
| Application: | Ethyl 6-isocyanatohexanoate may be used in the synthesis of 1-(5-ethoxycarbonylpentyl |
| General description: | Ethyl 6-isocyanatohexanoate can be synthesized by reacting ethyl 6-aminohexanoate hydrochloride with phosgene. Its enthalpy of vaporization at boiling point has been evaluated. |
| Packaging: | 2 g in glass bottle |
| Symbol | ![]() GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H317 - H319 - H334 |
| Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36 |
| Safety Statements | 23-26-36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| bp | 253 °C (lit.) |
| Density | 1.032 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |



