2-Ethyl hexyl acetate

2-Ethyl hexyl acetate
Compound Structure:
Synonyms: 2-ETHYLHEXYL ACETATE;103-09-3;Acetic acid, 2-ethylhexyl ester;2-Ethyl-1-hexanol acetate;2-Ethyl-1-hexyl acetate;2-Ethylhexyl ethanoate;2-Ethylhexanyl acetate;Acetic Acid 2-Ethylhexyl Ester;2-Ethylhexylester kyseliny octove
Compound ID: NMPC-233
PubChem ID:

7635
Molecular Formula: C10H20O2
Canonical SMILES: CCCCC(CC)COC(=O)C
InChIKey: WOYWLLHHWAMFCB-UHFFFAOYSA-N
About the compound:

Ethylhexyl acetate is an acetate ester, specifically hexyl acetate substituted by an ethyl group at position 2. It is commonly used as a solvent and is also employed in the formulation of perfumes and fragrances. This compound appears as a water-white liquid that is insoluble in water, and it is less dense than water. It has a flash point of 180°F. While ethylhexyl acetate is widely used in various industrial and commercial applications, it can be a skin and eye irritant, both in its liquid form and as vapors. It is known for its fruity and pleasant odor, which makes it suitable for use in perfumes and fragrances. In addition to its industrial uses, ethylhexyl acetate can also be metabolized within the body. As a metabolite, it plays a role in the body's metabolic processes. Its metabolic fate can vary depending on how it is processed in living organisms.

GHS Hazard Statements

H315 (99.95%): Causes skin irritation [Warning Skin corrosion/irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

172.26 g/mol

XLogP3-AA

3.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

7

Exact Mass

172.146329876 g/mol

Monoisotopic Mass

172.146329876 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

12

 

Formal Charge

0

Complexity

121

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Ethylhexyl acetate appears as a water-white liquid. Insoluble in water and is less dense than water. Flash point 180 °F. Used as a solvent and in perfumes. Liquid or vapors may irritate skin and eyes. Vapors have a fruity, pleasant odor.

Boiling Point

378 °F at 760 mmHg (USCG, 1999)

Melting Point

-80 °C

Density

0.873 at 68 °F (USCG, 1999)

Solubility 

Very Slightly Sol In Water; Miscible With Alcohol, Oils, & Other Org Solvents

Vapor Pressure

0.23 [mmHg]

Source: PubChem
Source Species: Ficus asperifolia
Download SDF