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Cobaltous 2-naphthenic acid

PubChem CID
14048876
Structure
Cobaltous 2-naphthenic acid_small.png
Cobaltous 2-naphthenic acid_3D_Structure.png
Molecular Formula
Synonyms
  • Cobalt naphthenate
  • Cobaltous 2-naphthenic acid
  • UNII-9M0814DLOU
  • 9M0814DLOU
  • 157583-32-9
Molecular Weight
401.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2007-02-09
  • Modify:
    2025-01-25
Description
Cobalt(II) naphthenate is a chemical compound of cobalt. It is used mainly as an oil drying agent. Cobalt is a metallic element with the atomic number 27. It is found naturally in rocks, soil, water, plants, and animals. In small amounts cobalt is an essential element for life, as it is part of vitamin B12. However, excess exposure is known to exhibit toxic effects. (L29, L30, L34)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64
L30: Wikipedia. Cobalt. Last Updated 21 March 2009. http://en.wikipedia.org/wiki/Cobalt
L34: Wikipedia. Cobalt(II) naphthenate. Last Updated 23 January 2009. http://en.wikipedia.org/wiki/Cobalt(II)_naphthenate

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Cobaltous 2-naphthenic acid.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cobalt(2+);naphthalene-2-carboxylate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/2C11H8O2.Co/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

IFSWBZCGMGEHLE-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-].[Co+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C22H14CoO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

157583-32-9
61789-51-3

2.3.2 UNII

2.3.3 UN Number

2.3.4 ICSC Number

2.3.5 Wikidata

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • cobalt naphthenate
  • lead naphthenate
  • naphthenic acid
  • naphthenic acid, lead salt
  • naphthenic acids

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
401.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
401.022402 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
401.022402 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
80.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
195
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Brown or blush-red solid; [ICSC] Insoluble in water; [MSDSonline]
BROWN AMORPHOUS OR BLUISH-RED SOLID.

3.2.2 Melting Point

140 °C

3.2.3 Solubility

Solubility in water: none

3.2.4 Density

0.9 g/cm³

3.2.5 Autoignition Temperature

276 °C

3.3 Chemical Classes

Metals -> Organic Acids, Metal Salts

5 Chemical Vendors

6 Pharmacology and Biochemistry

6.1 Metabolism / Metabolites

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64

7 Use and Manufacturing

7.1 Uses

Sources/Uses
Used to make paints and varnishes; [CAMEO] Used as a curing agent in rubbers and resins; [Kanerva, p. 1772]
Kanerva - Rustemeyer L, Elsner P, John SM, Maibach HI (eds). Kanerva's Occupational Dermatology, 2nd Ed. Berlin: Springer-Verlag, 2012., p. 1772
Industrial Processes with risk of exposure
Cobalt(II) naphthenate is used mainly as an oil drying agent. (L34)
L34: Wikipedia. Cobalt(II) naphthenate. Last Updated 23 January 2009. http://en.wikipedia.org/wiki/Cobalt(II)_naphthenate

7.1.1 Use Classification

Hazard Classes and Categories -> Carcinogens, Flammable - 2nd degree

7.1.2 Household Products

Household & Commercial/Institutional Products

Information on 8 consumer products that contain Cobalt naphthenate in the following categories is provided:

• Home Maintenance

• Inside the Home

8 Safety and Hazards

8.1 Hazards Identification

8.1.1 Hazard Classes and Categories

Carcinogens, Flammable - 2nd degree

8.1.2 Fire Hazards

Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

8.1.3 Hazards Summary

An eye and respiratory tract irritant; May cause skin sensitization; [ICSC] See Lead naphthenate, Copper naphthenate, and Nickel naphthenate. See Cobalt.

8.2 Safety and Hazard Properties

8.2.1 Physical Dangers

Dust explosion possible if in powder or granular form, mixed with air.

8.3 First Aid Measures

Inhalation First Aid
Fresh air, rest. Refer for medical attention.
Skin First Aid
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .
Eye First Aid
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Ingestion First Aid
Rinse mouth. Refer for medical attention .

8.4 Fire Fighting

Use water spray, powder. In case of fire: keep drums, etc., cool by spraying with water.

8.5 Accidental Release Measures

8.5.1 Spillage Disposal

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Remove all ignition sources. Sweep spilled substance into sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.

8.6 Handling and Storage

8.6.1 Safe Storage

Separated from strong oxidants. Well closed.

8.7 Exposure Control and Personal Protection

Exposure Summary
Biological Exposure Indices (BEI) [ACGIH] - Cobalt in urine = 15 ug/L; sample at end of shift at end of workweek;
ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.

8.7.1 Threshold Limit Values (TLV)

0.02 [mg/m3], as Co

8.7.2 Effects of Short Term Exposure

The aerosol is irritating to the eyes and respiratory tract.

8.7.3 Effects of Long Term Exposure

Repeated or prolonged contact may cause skin sensitization.

8.7.4 Preventions

Fire Prevention
NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Exposure Prevention
PREVENT DISPERSION OF DUST! STRICT HYGIENE!
Inhalation Prevention
Use local exhaust or breathing protection.
Skin Prevention
Protective gloves. Protective clothing.
Eye Prevention
Wear safety goggles or eye protection in combination with breathing protection if powder.
Ingestion Prevention
Do not eat, drink, or smoke during work. Wash hands before eating.

8.8 Transport Information

8.8.1 UN Classification

UN Hazard Class: 4.1; UN Pack Group: III

9 Toxicity

9.1 Toxicological Information

9.1.1 Toxicity Summary

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64

9.1.2 Carcinogen Classification

Carcinogen Classification
2B, possibly carcinogenic to humans. (L135)

9.1.3 Health Effects

Exposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (L29, L30)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64
L30: Wikipedia. Cobalt. Last Updated 21 March 2009. http://en.wikipedia.org/wiki/Cobalt

9.1.4 Exposure Routes

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.
Inhalation (L29) ; oral (L29) ; dermal (L29)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64

9.1.5 Symptoms

Inhalation Exposure
Cough. Shortness of breath. Sore throat. Wheezing.
Skin Exposure
Redness. Pain.
Ingestion Exposure
Diarrhoea. Weakness.
Cobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (L2090)
L2090: U.S. National Library of Medicine, MedlinePlus: Cobalt poisoning. http://www.nlm.nih.gov/medlineplus/ency/article/002495.htm

9.1.6 Adverse Effects

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

9.1.7 Toxicity Data

LD50: 3900 mg/kg (Oral, Rat) (L491)
L491: ScienceLab.com (2008). Material Safety Data Sheet (MSDS) for Cobalt naphthenate, 53% in mineral spirits. http://www.sciencelab.com/xMSDS-Cobalt_naphthenate_53_in_mineral_spirits-9927740

9.1.8 Minimum Risk Level

Chronic Inhalation: 0.0001 mg/m3 (L134) Intermediate Oral: 0.01 mg/kg/day (L134)
L134: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/mrls/

9.1.9 Treatment

Treatment of cobalt poisoning is symptomatic. (L29)
L29: ATSDR - Agency for Toxic Substances and Disease Registry (2004). Toxicological profile for cobalt. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=373&tid=64

10 Associated Disorders and Diseases

Associated Occupational Diseases with Exposure to the Compound
Contact dermatitis, allergic [Category: Skin Disease]

11 Literature

11.1 Consolidated References

11.2 NLM Curated PubMed Citations

11.3 Chemical Co-Occurrences in Literature

11.4 Chemical-Gene Co-Occurrences in Literature

11.5 Chemical-Disease Co-Occurrences in Literature

12 Patents

12.1 Depositor-Supplied Patent Identifiers

12.2 Chemical Co-Occurrences in Patents

12.3 Chemical-Disease Co-Occurrences in Patents

12.4 Chemical-Gene Co-Occurrences in Patents

13 Interactions and Pathways

13.1 Chemical-Target Interactions

14 Classification

14.1 MeSH Tree

14.2 ChemIDplus

14.3 Consumer Product Information Database Classification

14.4 EPA Substance Registry Services Tree

14.5 MolGenie Organic Chemistry Ontology

15 Information Sources

  1. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  2. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  3. ILO-WHO International Chemical Safety Cards (ICSCs)
  4. NJDOH RTK Hazardous Substance List
  5. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  6. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
  7. Toxin and Toxin Target Database (T3DB)
    LICENSE
    T3DB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (T3DB) and the original publication.
    http://www.t3db.ca/downloads
    Cobalt(II) naphthenate
    http://www.t3db.ca/toxins/T3D0663
  8. Wikidata
    cobaltous 2-naphthenic acid
    https://www.wikidata.org/wiki/Q1944114
  9. PubChem
  10. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  11. EPA Substance Registry Services
  12. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
CONTENTS