2-Ethylhexanoic acid
Skeletal formula of 2-ethylhexanoic acid
2-Ethylhexanoic acid molecule
Names
IUPAC name
2-Ethylhexanoic acid[1]
Identifiers
CAS Number
149-57-5 Yes
72377-05-0 S enantiomer No
56006-48-5 R enantiomer No
3D model (JSmol)
Interactive image
Beilstein Reference
1750468
ChEMBL
ChEMBL1162485 Yes
ChEMBL1162487 No
ChEMBL1162486 No
ChemSpider
8373 Yes
70431 R No
119200 S No
ECHA InfoCard 100.005.222
EC Number 205-743-6
MeSH 2-ethylhexanoic+acid
PubChem CID
8697
78052 R
135309 S
RTECS number MO7700000
UNII
01MU2J7VVZ Yes
InChI[show]
SMILES[show]
Properties
Chemical formula
C8H16O2
Molar mass 144.21 g·mol−1
Appearance Colorless liquid
Density 903 mg mL−1
Melting point −59.00 °C; −74.20 °F; 214.15 K
Boiling point 228.1 °C; 442.5 °F; 501.2 K
log P 2.579
Vapor pressure <1 Pa (at 25 °C)
Acidity (pKa) 4.819
Basicity (pKb) 9.178
Refractive index (nD)
1.425
Thermochemistry
Std enthalpy of
formation (ΔfHo298)
−635.1 kJ mol−1
Std enthalpy of
combustion (ΔcHo298)
-4.8013–4.7979 MJ mol−1
Hazards
GHS pictograms The corrosion pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) The exclamation-mark pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) The health hazard pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word DANGER
GHS hazard statements
H312, H318, H361
GHS precautionary statements
P280, P305+351+338
Flash point 114 °C (237 °F; 387 K)
Autoignition
temperature
371 °C (700 °F; 644 K)
Explosive limits 0.9–6.7%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
1.142 g kg−1 (dermal, rabit)
3 g kg−1 (oral, rat)
Related compounds
Related compounds
2-Methylhexane
3-Methylhexane
Valnoctamide
2-Methylheptane
3-Methylheptane
2-Ethylhexanol
Valpromide
Propylheptyl alcohol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
No verify (what is YesNo ?)
Infobox references
2-Ethylhexanoic acid is the organic compound with the formula CH3(CH2)3CH(C2H5)CO2H. It is a carboxylic acid that is widely used to prepare lipophilic metal derivatives that are soluble in nonpolar organic solvents. 2-Ethylhexanoic acid is a colorless viscous oil. It is supplied as a racemic mixture.
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