Phenol, 4-nonyl-, calcium salt (2:1)
Basic information
- CAS
100842-25-9- Standard SMILES
CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc1ccc([O-])cc1.[Ca+2]- InChIKey
JOTIGIPYKRJFSC-UHFFFAOYSA-L- Molecular formula
- C30H46CaO2
- Average molar mass
- 478.8 g/mol
- Monoisotopic mass
- 478.3123716
Names & identifiers
- Preferred name
- Phenol, 4-nonyl-, calcium salt (2:1)
- IUPAC
- calcium bis(4-nonylphenolate)
- English name
- CALCIUMNONYLPHENATE
- Molecular formula
- C15H24O.1/2Ca
- Molecular weight
- 240.39
Names & synonyms
Phenol, 4-nonyl-, calcium saltCalcium p-nonylphenate100842-25-9Phenol, 4-nonyl-, calcium salt (2:1)RefChem:172825calcium;4-nonylphenolateCalcium bis(4-nonylphenolate)SCHEMBL6064519DTXSID80905802JOTIGIPYKRJFSC-UHFFFAOYSA-LCALCIUMNONYLPHENATE
Database identifiers
- CAS
100842-25-9- PubChem CID
- 21989596
- DTXSID
DTXSID80905802- Nikkaji
- J155.228G
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4-nonyl-, calcium salt (100842-25-9)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-nonyl-, calcium salt (2:1): INACTIVE
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Related reactions
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Compound notes
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