Basic information
- CAS
2218-80-6- Standard SMILES
O=C([O-])CCCC1CCCCC1.O=C([O-])CCCC1CCCCC1.[Cu+2]- InChIKey
FGUOYHAMMRMUQO-UHFFFAOYSA-L- Molecular formula
- C20H34CuO4
- Average molar mass
- 402 g/mol
- Monoisotopic mass
- 401.175307
Names & identifiers
- Preferred name
- Cyclohexanebutanoic acid, copper(2+) salt (2:1)
- IUPAC
- copper bis(4-cyclohexylbutanoate)
- English name
- Copper(II) cyclohexanebutyrate
- Molecular formula
- C20H34CuO4
- Molecular weight
- 402.03
Names & synonyms
Cyclohexanebutanoic acid, copper(2+) saltEINECS 218-723-7DTXSID0062268NSC 148772RefChem:580501DTXCID5036632Cyclohexanebutanoic acid, copper(2+) salt (2:1)2218-80-6Copper(II) cyclohexanebutyratecopper;4-cyclohexylbutanoateCopper(II) 4-cyclohexylbutanoateCopper bis(4-cyclohexylbutyrate)
Show more names
CUPRIC CYCLOHEXANEBUTYRATECOPPER CYCLOHEXANEBUTYRATECCOPPER CYCLOHEXANEBUTYRATECOPPER(II)CYCLOHEXYLBUTYRATECOPPER(II) 4-CYCLOHEXABUTYRATECopper(II)4-cyclohexylbutyrateCopper(II)cyclohexanebutyrate(AAS)
copper 4-cyclohexylbutanoateC20H34CuO4SCHEMBL134160FGUOYHAMMRMUQO-UHFFFAOYSA-LAKOS015916155Cyclohexanebutyric acid copper(II) saltDB-243293NS00084029
Database identifiers
- CAS
2218-80-6
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 126 °C · 126 °C (dec.)(lit.)
- form
- powder
- Exposure limits
- 1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: IDLH 100 mg/m3; TWA 1 mg/m3
- Major Application
- battery manufacturing
- InChI
- 1S/2C10H18O2.Cu/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
- InChIKey
- FGUOYHAMMRMUQO-UHFFFAOYSA-L
- SMILES
- O=C(CCCC1CCCCC1)O[Cu]OC(=O)CCCC2CCCCC2
- EPA Substance Registry System
- Cyclohexanebutanoic acid, copper(2+) salt (2218-80-6)
- UNSPSC Code
- 12352302 · 12352302
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
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 InformationCyclohexanebutanoic acid, copper(2+) salt: 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.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanebutanoic acid, copper(2+) salt (2:1): INACTIVE
Applications
UsesSolutions of copper(II) cyclohexanebutyrate can be used as calibration standards in the flame atomic absorption spectroscopy of copper foils from Li-ion batteries. The salt was used in a study during which copper speciation in jet fuel was determined by liquid chromatography.
Suppliers12 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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