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Zinc 2-Ethylhexanoate

CAS: 136-53-8 | C8H16O2Zn

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 136-53-8
Molecular Formula: C8H16O2Zn
Molecular Weight: 209.60399999999998 g/mol

Names and Synonyms:

Zinc 2-Ethylhexanoate
Struktol ZEH 75
D 15 (Catalyst)
D 15
D 15 (catalyst)
TMG 612
Acima Zinc Octoate 18
Acima Zinkoctoat 18
K-KAT XK 635
Kat 22
Zinc bis(2-ethylhexoate)
Bicat 3228
Struktol ZEH-DL
Borchi Kat 22
NUSA Zn
Bicat 3228M
Octope Zn
Nikka Octhix Zinc
CXZN 040
Struktol ZEH
Zinc(II) 2-ethylhexanoate
Zinc Hex-Cem
SRCO 6
Zinc bis(2-ethyl hexanoate)
Car Zin 18
Therm-Chek 705
Zinc octoate
Manosec Zn 22
2-Ethylhexanoic acid zinc salt
Mark 158
Mellite 103
Zinc α-ethylhexanoate
Zinc 2-ethylhexylate
Zinc 2-ethylcaproate
Zinc ethylhexanoate
Zinc 2-ethylhexanoate
Zinc 2-ethylhexoate
Zinc di(2-ethylhexoate)
Zinc di(2-ethylhexanoate)
Zinc bis(2-ethylcapronate)
Zinc bis(2-ethylcaproate)
Hexanoic acid, 2-ethyl-, zinc salt
Hexanoic acid, 2-ethyl-, zinc salt (2:1)

Identifiers:

SMILES:
CCCCC(CC)C(=O)O.[Zn]
InChI:
InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 209.60 g/mol Legacy Database
density 1.18 g/cm³ Legacy Database
cas-canonical-smile [Zn].O=C(O)C(CC)CCCC None Legacy Database
cas-density 1.180 g/cm3 None Legacy Database
cas-inchi InChI=1S/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); None Legacy Database
cas-inchi-key InChIKey=ZRXHQNQYIKVKNQ-UHFFFAOYSA-N None Legacy Database
cas-name Zinc 2-ethylhexanoate None Legacy Database
LogP 2.2849 RDKit

Molecular

Property Value Source
Molecular Weight 209.60399999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 208.044171952 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 11 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 5 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 37.3 Ų RDKit

Molar

Property Value Source
Molar Refractivity 40.9418 RDKit

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