CAS 104-76-7 2-Ethylhexanol - Materials / Alfa Chemistry

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2-Ethylhexanol

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Catalog Number

ACM104767

CAS Number

104-76-7

Product Name

2-Ethylhexanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

2-Aethylhexanol

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

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

Assay

0.997

Color/Form

Colorless liquid

Complexity

52.5

Covalently-Bonded Unit Count

EC Number

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

Exact Mass

130.135765193

Formal Charge

Hazard Statements

Xn,Xi

Heat of Vaporization

10.8 kcal/mol at boiling point

Heavy Atom Count

ICSC Number

0890

Log P

2.19510

MDL Number

MFCD00004746

MeSH Entry Terms

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

Monoisotopic Mass

130.135765193

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)

Packaging

1 ton

Refractive Index

n20/D 1.431(lit.)

Rotatable Bond Count

RTECS Number

MP0350000

Safety Description

26-36/39-36/37/39-36-61

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.

Storage Conditions