COBALTOUS 2-ETHYLHEXANOATE

Details

Stereochemistry	RACEMIC
Molecular Formula	2C8H15O2.Co
Molecular Weight	345.3402
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Co++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

InChI

InChIKey=QAEKNCDIHIGLFI-UHFFFAOYSA-L

InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C8H15O2
Molecular Weight	143.2035
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Co
Molecular Weight	58.9332
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26210821
Curator's Comment: description was created based on several sources, including: https://www.nicnas.gov.au/chemical-information/imap-assessments/imap-group-assessment-report?assessment_id=1143 | https://www.ncbi.nlm.nih.gov/pubmed/20946461 | https://www.ncbi.nlm.nih.gov/pubmed/16637815

Cobaltous 2-ethylhexanoate (cobalt octoate) is an accelerator in the polyester resins. There have been several reports of allergic contact dermatitis resulting from cobaltous 2-ethylhexanoate. It was demonstrated, that cobalt octoate induced DNA strand breakage in vitro (in human cells), but the damage appeared to be explained by oxidative damage resulting from reactive oxygen species, probably caused by the cobalt cation.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA 278 Target ID: CHEMBL2311221 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26210821	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Offset printer's occupational allergic contact dermatitis caused by cobalt-2-ethylhexoate.	1996 Jan	8789236
Occupational allergic contact dermatitis to cobalt octoate included as an accelerator in a polyester resin.	2006 May	16637815
Occupational cobalt-allergic contact dermatitis resulting from polyester resin.	2010 Nov	20946461
New investigations into the genotoxicity of cobalt compounds and their impact on overall assessment of genotoxic risk.	2015 Oct	26210821

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Following a 4 h exposure of A549 cells to both AAF and Gamble's solution extracts of cobalt octoate, DCFH was oxidised resulting in a strong increase of DCF fluorescence (up to 949% in AAF and 725% in Gamble's solution). Metabolic activity and DNA content were reduced after incubation with high concentrations of cobalt octoate (400 and 800 ug/mL, particulate fractions). Here, ROS formation was already observed at non-cytotoxic concentrations (<400 ug/mL) of cobalt octanoate.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:34:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:34:21 GMT 2023`
Record UNII	0655R88E34
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COBALTOUS 2-ETHYLHEXANOATE

Common Name

English

COBALT 2-ETHYLHEXOATE

Common Name

English

COBALT BIS(2-ETHYLHEXANOATE) [HSDB]

Common Name

English

HEXANOIC ACID, 2-ETHYL-, COBALT(2+) SALT

Systematic Name

English

COBALT 2-ETHYLHEXANOATE (1:2)

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, COBALT(2+) SALT (2:1)

Systematic Name

English

OCTLIFE CO 8

Brand Name

English

2-ETHYLHEXANOIC ACID COBALT(2+) SALT

Systematic Name

English

2-ETHYLHEXANOIC ACID COBALT SALT

Systematic Name

English

ACCELERATOR G

Brand Name

English

BIS(2-ETHYL HEXANOATE)COBALT

Common Name

English

COBALT(II) 2-ETHYLHEXANOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

0655R88E34