A3945312
2-Ethylhexanoic acid , StandardforGC,≥99.5%(GC) , 149-57-5
Synonym(s):
2-Ethylcaproic acid;2-Ethylhexanoic acid;3-Heptanecarboxylic acid, α-Ethylcaproic acid
CAS NO.：149-57-5
Empirical Formula: C8H16O2
Molecular Weight: 144.21
MDL number: MFCD00002675
EINECS: 205-743-6
| Pack Size | Price | Stock | Quantity |
| 5ML | RMB47.20 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -59 °C |
| Boiling point: | 228 °C(lit.) |
| Density | 0.906 |
| vapor density | 4.98 (vs air) |
| vapor pressure | <0.01 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 230 °F |
| storage temp. | Store below +30°C. |
| solubility | 1.4g/l |
| form | Liquid |
| pka | pK1:4.895 (25°C) |
| color | Clear |
| PH | 3 (1.4g/l, H2O, 20℃) |
| Odor | Mild odour |
| PH Range | 3 at 1.4 g/l at 20 °C |
| explosive limit | 1.04%, 135°F |
| biological source | synthetic |
| Water Solubility | 2 g/L (20 ºC) |
| BRN | 1750468 |
| Exposure limits | ACGIH: TWA 5 mg/m3 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases. |
| InChI | 1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)C(O)=O |
| LogP | 2.7 at 25℃ |
| CAS DataBase Reference | 149-57-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanoic acid, 2-ethyl-(149-57-5) |
| EPA Substance Registry System | 2-Ethylhexanoic acid (149-57-5) |
Description and Uses
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.
Safety
| Symbol(GHS) |  GHS08 |
| Signal word | Warning |
| Hazard statements | H361d |
| Precautionary statements | P280 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn |
| Risk Statements | 63-41-37/38-20/21/22 |
| Safety Statements | 36/37-36/37/39-26-2 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 1 |
| RTECS | MO7700000 |
| F | 13 |
| Autoignition Temperature | 699 °F |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29159080 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Repr. 1B |
| Hazardous Substances Data | 149-57-5(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 3640 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
