2-ETHYLHEXANOIC ACID VINYL ESTER

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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 °C/30 mmHg
Flash Point
65 °C
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
170.130679813 g/mol
Monoisotopic Mass
170.130679813 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
141
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

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)

Calculate
The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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Customer Support
Customer Support
International
1-631-504-6093
US & Canada (Toll free)
1-844-BOC(262)-0123
UK
44-20-3980-8385
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