Basic information
- CAS
4454-16-4- Standard SMILES
CCCCC(CC)C(=O)O.[Ni]- InChIKey
UVPKUTPZWFHAHY-UHFFFAOYSA-L- Molecular formula
- C8H16NiO2
- Average molar mass
- 202.9 g/mol
- Monoisotopic mass
- 202.050371
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, nickel salt (1:?)
- IUPAC
- 2-ethylhexanoic acid;nickel
- English name
- 2-ethylhexanoic acid, nickel salt
- Molecular formula
- C16H30NiO4
- Molecular weight
- 345.1004
Names & synonyms
Nickel 2-ethylhexanoate7580-31-6EINECS 231-480-1Hexanoic acid, 2-ethyl-, nickel saltHexanoic acid, 2-ethyl-, nickel salt (1:?)RefChem:1462022-Ethylhexanoic acid, nickel salt2-ethyl hexanoic acid nickelSCHEMBL197200Nickel(2+) bis(2-ethylhexanoate)2-ethyl-hexanoic aci nickel saltHexanoic acid,2-ethyl-,nickel salt
Show more names
2-Ethylhexanoic acid/nickel,(1:x) saltHexanoic acid, 2-ethyl-, nickel salt (1:)
Database identifiers
- CAS
4454-16-4、7580-31-6- PubChem CID
- 24231
- EC Number
- 231-480-1
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.4
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- REACH Annex XVII Substances List
- 2 · 2-ethylhexanoic acid, nickel salt (7580-31-6)
- EPA Substance Registry System
- 2 · Nickel 2-ethylhexanoate (7580-31-6)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H372-H410-H334-H360D-H341-H350i
- Precautionary statements
- 260 · P260-P264-P270-P314-P501-P273-P391-P501-P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, nickel salt
Hazard Traits - Carcinogenicity; Reproductive Toxicity; Respiratory Toxicity
Hexanoic acid, 2-ethyl-, nickel salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, nickel salt (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)
Restricted substance: 2-ethylhexanoic acid, nickel salt
Other Safety InformationIMAP assessments - Nickel salts of 2-ethylhexanoic acid: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute toxicity - category 4
Carc. 1A
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Industry UsesCatalyst
General Manufacturing Information
Plastics Material and Resin Manufacturing
Hexanoic acid, 2-ethyl-, nickel salt (1:?): ACTIVE
Related reactions
2 records
Compound notes
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