3-Methyl-4-pentenoic acid
ALDRICH/553115 - 97%
CAS Number: 1879-03-4
Empirical Formula (Hill Notation): C6H10O2
Molecular Weight: 114.14
MDL Number: MFCD03427129
Linear Formula: CH2=CHCH(CH3)CH2CO2H
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 553115-1G.
| assay | 97% |
| bp | 75-76 °C/4 mmHg (lit.) |
| density | 0.94 g/mL at 25 °C (lit.) |
| InChI | 1S/C6H10O2/c1-3-5(2)4-6(7 |
| InChI key | QNPZXLANENFTFK-UHFFFAOYSA |
| refractive index | n |
| SMILES string | CC(CC(O)=O)C=C |
| Application: | 3-Methyl-4-pentenoic acid may be used to synthesize: • trans- and cis-5-phenylseleno-3-methyl- • trans- and cis-5-iodo-3-methyl-4-pentan • 3-methyl-4-pentene-1-ol |
| General description: | 3-Methyl-4-pentenoic acid can be synthesized from crotyl acetate via Claisen rearrangement. |
| Packaging: | 1 g in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 199.9 °F - closed cup |
| Flash Point(C) | 93.3 °C - closed cup |
| Purity | 97% |
| bp | 75-76 °C/4 mmHg (lit.) |
| Density | 0.94 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |