Chromium(III) 2-ethylhexanoate
Basic information
- CAS
3444-17-5- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cr+3]- InChIKey
WBKDDMYJLXVBNI-UHFFFAOYSA-K- Molecular formula
- C24H45CrO6
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.262119
Overview
See also: Chromium tris((2-ethylhexanoate) (annotation moved to).
Names & identifiers
- Preferred name
- Chromium(III) 2-ethylhexanoate
- IUPAC
- chromium(3+);tris(2-ethylhexanoate)
- English name
- Chromium (III) 2-ethylhexanoate
- Molecular formula
- C8H16CrO2
- Molecular weight
- 196.21
Names & synonyms
Chromium(III) 2-ethylhexanoateHexanoic acid, 2-ethyl-, chromium(3+) saltChromic 2ethylhexanoateDTXSID70890576Chromium tris(2ethylhexanoate)Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1)2Ethylhexanoic acid chromium(III) saltChromium 2ethylhexanoateRefChem:576951DTXCID601030791Hexanoic acid, 2ethyl, chromium(3+) salt3444-17-5
Show more names
CHROMIUM 2-ETHYLHEXANOATEchromium(3+)Chromium octanoateChromic isooctanoateChromic2-ethylhexanoateChromic 2-ethylhexanoat50%in2-ethylhexanoicacidChroMiuM(Ⅲ)2-EthylhexanoateChromtris((2-ethylhexanoat)chromium(3+),2-ethylhexanoate
CHROMIUM (III) 2-ETHYLHEXANOATEchromium(3+);2-ethylhexanoate2-Ethylhexanoic acid chromium(III) saltChromium 2-ethylhexanoate (1:3)chromium(3+) tris(2-ethylhexanoate)C24H45CrO6MFCD00014005Chromic 2-ethylhexanoate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 93.9
Experimental & physicochemical properties
Chemical ClassesMetals -> Chromium Compounds, Inorganic
Physical Description
Liquid
50.9% 2-ethylhexanoic acid solution: Green liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 489.1 ℃[at · 489.1℃[at 101 325 Pa]
- Density
- 1 · 1,01 g/cm3
- Flash point
- 110 °C · 110°C
- form
- liquid
- Specific Gravity
- 1.01 · 1.01
- color
- green, viscous
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- Exposure limits
- 25 mg/m3; · NIOSH: IDLH 25 mg/m3; TWA 0.5 mg/m3
- InChI
- InChI=1S/C8H16O2.Cr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
- InChIKey
- NPCUWXDZFXSRLT-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, chromium(3+) salt
Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Chromium(III) tris(2-ethylhexanoate): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryThe trivalent form of Cr is 500-1000 times less toxic than the hexavalent form. Organic Cr-containing complexes of toxicological importance have not been reported. [Nordberg, p. 718] See 2-Ethylhexanoic acid. See Chromium(III) sulfate.
Safety & protection
Threshold Limit Values (TLV)0.003 [mg/m3], as Cr(III), inhalable particulate matter
Permissible Exposure Limit (PEL)0.5 [mg/m3]
Toxicology
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1): ACTIVE
Applications
UsesChromium(III) 2-ethylhexanoate is used in paints, coatings and petrochemical manufacturing.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…