2-Ethyl Hexanol - Materials / Alfa Chemistry

NAVIGATION

2-Ethyl Hexanol

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Catalog Number

ACMA00016786

Product Name

2-Ethyl Hexanol

Category

Polymers

Description

2-ethyl hexanol appears as a dark brown liquid with an aromatic odor. Insoluble in water and less dense than water. Flash point between 140 - 175°F. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.;Liquid; WetSolid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless to pale yellow liquid;A dark brown liquid with an aromatic odor.

IUPAC Name

2-ethylhexan-1-ol

Molecular Weight

130.23g/mol

Molecular Formula

C8H18O;CH3(CH2)3CH(CH2CH3)CH₂OH;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

363 to 365 °F at 760 mm Hg (NTP, 1992);184.6 °C;184.34 °C;182 °C;363-365°F

Melting Point

-105 °F (NTP, 1992);-70.0 °C;-70 °C;-105°F

Flash Point

178 °F (NTP, 1992);164 °F (73 °C);73 °C c.c.;178°F

Density

0.834 at 68 °F (USCG, 1999);0.8344 at 20 °C/20 °C;Relative density (water = 1): 0.83;0.830-0.834;0.834

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)

Application

2-Ethyl Hexanol is a versatile industrial chemical that serves multiple purposes across various applications. It is predominantly used to produce ester plasticizers, which are crucial for manufacturing soft polyvinyl chloride (PVC) products. Additionally, it acts as a low volatility solvent for resins, waxes, and oils, enhancing their applications in coatings, adhesives, and printing inks. In the realm of fragrances and flavors, 2-Ethyl Hexanol's sweet, slightly floral aroma is valued, and it is approved as a food additive. This chemical is also essential in the production of the sunscreen component octocrylene and serves as an octane booster when reacting with nitric acid. Beyond these uses, it is involved in scientific studies focusing on dynamics like dielectric polarization and isothermal heat capacity, and it even plays a role in agricultural settings as an inert ingredient in pesticide formulations.

Color/Form

Colorless liquid

Complexity

52.5

Covalently-Bonded Unit Count

EC Number

203-234-3;213-969-1;295-250-2

Exact Mass

130.135765g/mol

Formal Charge

Heat of Vaporization

10.8 kcal/mol at boiling point

Heavy Atom Count

ICSC Number

0890

Log P

log Kow = 2.73 (est);2.3-3.1

MeSH Entry Terms

2-ethyl-1-hexanol;2-ethylhexanol;2-ethylhexanol, titanium (4+) salt

Monoisotopic Mass

130.135765g/mol

NSC Number

9300

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

Index of refraction: 1.4300 at 20 °C/D;1.429-1.434

Rotatable Bond Count

RTECS Number

MP0350000

UN Number

1986

Vapor Density

4.49 (NTP, 1992) (Relative to Air);4.49 (Air = 1);Relative vapor density (air = 1): 4.5;4.49

Vapor Pressure

0.05 mm Hg at 68 °F (NTP, 1992);0.14 mmHg;0.136 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 48;0.05 mmHg

Viscosity