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2-Ethylhexanoic acid Structure

2-Ethylhexanoic acid

Chemical Properties

Melting point −59.00 °C; −74.20 °F; 214.15 K
Boiling point 228.1 °C; 442.5 °F; 501.2 K
Density  903 mg mL−1
vapor density  4.98 (vs air)
vapor pressure  <0.01 mm Hg ( 20 °C)
refractive index  1.425
Flash point 114 °C (237 °F; 387 K)
storage temp.  Store below +30°C.
solubility  1.4g/l
pka pK1:4.895 (25°C)
form  liquid
color  Colorless
Odor Mild odour
PH Range 3 at 1.4 g/l at 20 °C
PH 3 (1.4g/l, H2O, 20℃)
explosive limit 1.04%, 135°F
biological source synthetic
Water Solubility  2 g/L (20 ºC)
BRN  1750468
Henry's Law Constant 3.5×100 mol/(m3Pa) at 25℃, HSDB (2015)
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)

Safety Information

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  2915900090
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

MSDS

Usage And Synthesis

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