2-ETHYLHEXANOIC ACID VINYL ESTER

Inquiry

Molecular Formula:

C10H18O2

Molecular Weight:

170.25

CAS Number:

94-04-2

Catalog Number:

94-04-2

Product Information

Molecular Formula:

C10H18O2

Molecular Weight:

170.25

Description

2-ETHYLHEXANOIC ACID VINYL ESTER is a widely used chemical entity. It has an extraordinary ability to create effective drugs to combat a wide range of diseases, including oncological diseases, cardiac dysfunction, and inflammatory diseases.

Synonyms

2-ethyl-hexanoicaciethenylester; 2-ethyl-hexanoicacivinylester; 2-Ethylhexoic acid, vinyl ester; 2-ethylhexoicacid,vinylester; Hexanoic acid, 2-ethyl-, ethenyl ester; Hexanoic acid, 2-ethyl-, vinyl ester; Hexanoicacid,2-ethyl-,ethenylester; Vinylester kyseliny

IUPAC Name

ethenyl 2-ethylhexanoate

Canonical SMILES

CCCCC(CC)C(=O)OC=C

InChI

InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3

InChI Key

IGBZOHMCHDADGY-UHFFFAOYSA-N

Boiling Point

86 ℃/30 mmHg

Flash Point

65 ℃

Purity

>98.0%(GC)

Density

0,87 g/cm3

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.43

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.130679813 g/mol

Monoisotopic Mass

170.130679813 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

141

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-6994600-B1	Primer composition	2021-08-31
JP-6994601-B1	Primer composition	2021-08-31
JP-6998490-B1	Ink composition for photocurable inkjet printing	2021-08-30
JP-6948484-B1	Ink set	2021-04-27
JP-6918263-B1	Cleaning liquid, ink set, and cleaning method	2021-03-23
JP-6919082-B1	Ink set	2021-02-22
JP-6952208-B1	Aqueous inkjet ink compositions, printed matter, and inkjet printing methods	2020-09-28
WO-2022055511-A1	Emulsifier stabilized formulated copolymer dispersions and uses thereof in nozzle application for dots and lines	2020-09-14
WO-2022050958-A1	Printable recording media	2020-09-04
WO-2022051439-A1	Antiperspirant composition	2020-09-03

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)