Basic information
- CAS
4167-05-9- Standard SMILES
CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc(C(=O)[O-])cc1.[Cd+2]- InChIKey
AVNPYADPFYLJJA-UHFFFAOYSA-L- Molecular formula
- C22H26CdO4
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 468.086474
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1,1-dimethylethyl)-, cadmium salt (2:1)
- IUPAC
- bis(4-tert-butylbenzoate);cadmium(2+)
Names & synonyms
Cadmium p-tert-butylbenzoateBenzoic acid, 4-(1,1-dimethylethyl)-, cadmium saltCadmium p-t-butylbenzoateDTXSID3063330EINECS 224-022-7p-t-Butylbenzoic acid, cadmium saltCadmium 4-(1,1-dimethylethyl)benzoateBenzoic acid, p-tert-butyl-, cadmium saltBenzoic acid, 4-(1,1-dimethylethyl)-, cadmium salt (2:1)RefChem:565860DTXCID7039967224-022-7
Show more names
4167-05-9cadmium bis(4-tert-butylbenzoate)SCHEMBL8745115AVNPYADPFYLJJA-UHFFFAOYSA-LNS00083464
Database identifiers
- CAS
4167-05-9- PubChem CID
- 77829
- DTXSID
DTXSID3063330- EC Number
- 224-022-7
- Nikkaji
- J224.973A
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 177
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P308+P316, P316, P317, P318, P319, P320, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Benzoic acid, 4-(1,1-dimethylethyl)-, cadmium salt
Restricted substance: Cadmium 4-(1,1-dimethylethyl)benzoate
Benzoic acid, 4-(1,1-dimethylethyl)-, cadmium 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.
Other Safety InformationIMAP assessments - Cadmium tert-butyl benzoates: Human health tier II assessment
Hazard Classes and CategoriesCarcinogenicity - category 1B
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(1,1-dimethylethyl)-, cadmium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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