Octanoyl chloride
ALDRICH/O4733 - 99%
Synonym: Capryloyl chloride
CAS Number: 111-64-8
Empirical Formula (Hill Notation): C8H15ClO
Molecular Weight: 162.66
EC Number: 203-891-6
MDL Number: MFCD00000766
Linear Formula: CH3(CH2)6COCl
Product Type: Chemical
| assay | 99% |
| bp | 195 °C (lit.) |
| density | 0.953 g/mL at 25 °C (lit.) |
| InChI | 1S/C8H15ClO/c1-2-3-4-5-6- |
| InChI key | REEZZSHJLXOIHL-UHFFFAOYSA |
| refractive index | n |
| SMILES string | CCCCCCCC(Cl)=O |
| vapor pressure | 2.5 mmHg ( 20 °C) |
| Application: | Applications of octanoyl chloride include: • Synthesis of (R)-2-propyloctanoic acid, a therapeutic agent for Alzheimer′s disease. • Synthesis of a variety of N-n-octyl- • Building 2-heptylbenzo[d]thiazole moiety to synthesize conjugated copolymer with fluorine, as cathode interlayer in inverted polymer solar cells (PSCs). • Octanoyl chloride is one of the essential precursors in the total synthesis of (−)-mandelalide L, a marine macrolide that display significant cytotoxicity against human cancer cell lines. |
| Packaging: | 5, 100, 500 mL in glass bottle |
| Symbol |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H290 - H315 - H317 - H318 - H330 |
| Precautionary statements | P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338 + P310 |
| Hazard Codes | T |
| Risk Statements | 23-38-41-43 |
| Safety Statements | 24-26-37-39-45 |
| RIDADR | UN 2927 8(6.1) / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 179.6 °F - closed cup |
| Flash Point(C) | 82 °C - closed cup |
| Purity | 99% |
| bp | 195 °C (lit.) |
| Density | 0.953 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |