2-Ethylhexanol

Catalog	ACM104767
CAS	104-76-7
Structure
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.
Synonyms	2-Aethylhexanol
IUPAC Name	2-Ethylhexan-1-ol
Molecular Weight	130.23
Molecular Formula	C8H18O
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
Boiling Point	183-186 °C
Melting Point	-76 °C
Flash Point	171 °F
Purity	98%+
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
Application	2-Ethylhexanol is a versatile component primarily used in the industrial production of ester plasticizers, which are integral to creating soft polyvinyl chloride materials. Its properties as a clear, oily liquid with a subtle floral aroma make it suitable for applications that blend aesthetics with functionality, such as in flavor and fragrance industries. This compound also serves as a crucial ingredient in a variety of chemical synthesis processes, contributing to the production of coatings, adhesives, and printing inks. Notably, 2-Ethylhexanol is utilized as an octane booster and a low volatility solvent for a range of substances, including resins and oils. In the field of agriculture, it functions as an inert pesticide ingredient, supporting crop protection efforts. Furthermore, its utility extends to scientific research, aiding in studies involving dynamic heat capacity and dielectric polarization, as well as in the preparation of advanced materials like porous beads.
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Odor	Mild, oily, sweet, slightly floral odor reminiscent of rose;Intense and unpleasant
Physical State	Liquid
Refractive Index	n20/D 1.431(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	20.2 Ų