2-Ethyl Hexanol - Materials / Alfa Chemistry

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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)

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