Basic information
- CAS
56453-09-9- Standard SMILES
CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-].[K+].[K+]- InChIKey
WEHLQEBKDGJWEI-UHFFFAOYSA-L- Molecular formula
- C21H34K2O4
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.17312293
Overview
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Names & identifiers
- Preferred name
- 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, dipotassium salt
- IUPAC
- dipotassium;5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate
- English name
- 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt
- Molecular formula
- C21H36O4.2K
- Molecular weight
- 430.71
Names & synonyms
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, dipotassium salt66375-37-956453-09-92-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt3-Hexyl-4-carboxy-6-(8-octanoic)cyclohexene-1-2, dipotassium salt2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, potassium salt (1:2)EINECS 266-336-7DTXSID40880409WEHLQEBKDGJWEI-UHFFFAOYSA-LDipotassium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, potassium salt (1:2)NS00086736
Show more names
5(or6)-carboxy-4-hexyl-2-cyclohexene-1-octanoic aci dipotassium salt5(or 6)-carboxy-4-hexyl-2-cyclohexene-1-octanoic aci dipotassium salt2-Cyclohexene-1-octanoic acid,5(or 6)-carboxy-4-hexyl-,dipotassium salt
dipotassium 5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt (56453-09-9)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory Information2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, dipotassium 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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, potassium salt (1:2): ACTIVE
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, potassium salt (1:2): ACTIVE
Suppliers1 total
Spartan Chemical Co., Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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