2-Pentenoic acid
ALDRICH/259276 - predominantly trans, 98%
Synonym: trans-2-Pentenoic acid
CAS Number: 13991-37-2
Empirical Formula (Hill Notation): C5H8O2
Molecular Weight: 100.12
EC Number: 237-791-9
MDL Number: MFCD00002704
Linear Formula: C2H5CH=CHCO2H
Product Type: Chemical
ATR-IR Spectra for trans-2-Pentenoic acid.
| assay | 98% |
| bp | 106 °C/20 mmHg (lit.) |
| density | 0.99 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | carboxylic acid |
| impurities | 10% cis isomer (maximum) |
| InChI | 1S/C5H8O2/c1-2-3-4-5(6)7/ |
| InChI key | YIYBQIKDCADOSF-ONEGZZNKSA |
| mp | 9-11 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | [H]C(CC)=C([H])C(O)=O |
| Application: | 2-Pentenoic acid has been used in preparation of new nonsteroidal human androgen receptor (hAR) agonists from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone. |
| Packaging: | 25 g in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 215.6 °F - closed cup |
| Flash Point(C) | 102 °C - closed cup |
| Purity | 98% |
| bp | 106 °C/20 mmHg (lit.) |
| mp | 9-11 °C (lit.) |
| Density | 0.99 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |