2-Ethylhexanoic acid
ALDRICH/E29141 - 99%
Synonym: 2-Ethylcaproic acid
CAS Number: 149-57-5
Empirical Formula (Hill Notation): C8H16O2
Molecular Weight: 144.21
EC Number: 205-743-6
MDL Number: MFCD00002675
Linear Formula: CH3(CH2)3CH(C2H5)CO2H
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: E29141-1L.
FT-NMR Spectra for 2-Ethylcaproic acid.
FT-IR Spectra for 2-Ethylcaproic acid.
| assay | 99% |
| autoignition temp. | 699 °F |
| bp | 228 °C (lit.) |
| density | 0.903 g/mL at 25 °C (lit.) |
| expl. lim. | 1.04 %, 135 °F |
| 8.64 %, 188 °F | |
| form | liquid |
| InChI | 1S/C8H16O2/c1-3-5-6-7(4-2 |
| InChI key | OBETXYAYXDNJHR-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CCCCC(CC)C(O)=O |
| vapor density | 4.98 (vs air) |
| vapor pressure | <0.01 mmHg ( 20 °C) |
| 10 mmHg ( 115 °C) |
| Application: | 2-Ethylhexanoic acid can be used: • As a reactant in esterification , decarboxylative alkynylation , and preparation of alkyl coumarins via decarboxylative coupling reactions. • In the organocatalytic medium for the preparation of various 3,4-dihydropyrimidin-2(1H)-ones/thiones by Biginelli reaction. |
| Packaging: | 1, 2 L in glass bottle |
| Symbol |  GHS08 |
| Signal word | Warning |
| Hazard statements | H361d |
| Precautionary statements | P280 |
| Hazard Codes | Xn |
| Risk Statements | 63 |
| Safety Statements | 36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| Flash Point(F) | 237.2 °F - closed cup |
| Flash Point(C) | 114 °C - closed cup |
| Purity | 99% |
| bp | 228 °C (lit.) |
| Density | 0.903 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |