Product Name
2-Ethylhexanol
Description
2-Ethylhexanol (abbreviated 2-EH) is a branched, eight-carbon chiral alcohol. It is a Colorless liquid that is poorly soluble in water but soluble in most organic solvents. It is produced on a massive scale for use in numerous applications such as solvents, flavors, and fragrances and especially as a precursor for production of other chemicals such as Emollients and plasticizers. It is encountered in natural plant fragrances, and the odor has been reported as “heavy, earthy, and slightly floral” for the R enantiomer and “a light, sweet floral fragrance” for the S enantiomer.
IUPAC Name
2-Ethylhexan-1-ol
Canonical SMILES
CCCCC(CC)CO
InChI
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChI Key
YIWUKEYIRIRTPP-UHFFFAOYSA-N
Density
0.833 g/mL at 25 °C(lit.)
Solubility
less than 1 mg/mL at 64° F (NTP, 1992);0.01 M;In water, 880 mg/L at 25 °C;Miscible with most organic solvents;Soluble in about 720 parts water, in many organic solvents;Solubility in water, g/100ml at 20 °C: 0.11 (poor)
Appearance
Colorless liquid
Autoignition Temperature
581 °F (USCG, 1999);448 °F (231 °C);270 °C
Color/Form
Colorless liquid
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomp it emits acrid smoke and fumes.
EC Number
203-234-3;213-969-1;295-250-2
Heat of Vaporization
10.8 kcal/mol at boiling point
Monoisotopic Mass
130.135765193
Odor
Mild, oily, sweet, slightly floral odor reminiscent of rose;Intense and unpleasant
Other Experimental
Freezing point: -76 °C;Bulk density: 6.9 lb/gal at 20 °C;% IN SATURATED AIR: 0.0066 @ 20 °C; DENSITY OF "SATURATED" AIR: LESS THAN 1.001 (AIR= 1);1 mg/L approx = 187.8 ppm & 1 ppm approx = 5.32 mg/cu m at5 °C, 760 mm Hg;Dielectric constant = 7.7 at 20 °C;Standard heat of formation = -103.46 kcal/mol at 25 °C;Heat capacity = 73.45 cal/deg K-mol at 25 °C;Henry's Law constant = 2.65X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.32X10-11 cu cm/molec-sec at 25 °C (est)
Refractive Index
n20/D 1.431(lit.)
Safety Description
26-36/39-36/37/39-36-61
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
Storage Conditions
Below +30 °C
Supplemental Hazard Statements
H315-H319-H332-H335-H402-H412-H227-H312-H336-H361-H401
Topological Polar Surface Area
20.2 Ų
Vapor Pressure
0.2 mm Hg ( 20 °C)
Viscosity
9.8 centapoise at 20 °C;12,0 mm2/s at 20 °C
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