Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt
Basic information
- CAS
101012-86-6- Standard SMILES
CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc(C(=O)[O-])cc1.[Zn+2]- InChIKey
LYSLZRDZOBAUFL-UHFFFAOYSA-L- Molecular formula
- C22H26O4Zn
- Average molar mass
- 419.8 g/mol
- Monoisotopic mass
- 418.112251
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt
- IUPAC
- zinc bis(4-tert-butylbenzoate)
Names & synonyms
4980-54-5Zinc p-t-butylbenzoateBenzoic acid, 4-(1,1-dimethylethyl)-, zinc saltZinc p-tert-butylbenzoatezinc;4-tert-butylbenzoateBenzoic acid, 4-(1,1-dimethylethyl)-, zinc salt (2:1)zinc bis(4-tert-butylbenzoate)zinc 4-tert-butylbenzoateBenzoic acid, p-tert-butyl-, zinc saltEINECS 225-628-4EINECS 309-786-2SCHEMBL205290
Show more names
SU96M37K5MDTXSID9063661Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt, basicLYSLZRDZOBAUFL-UHFFFAOYSA-L101012-86-6NS00081956
Database identifiers
- CAS
101012-86-6、4980-54-5- PubChem CID
- 78676
- DTXSID
DTXSID9063661- UNII
- SU96M37K5M
- EC Number
- 225-628-4、309-786-2
- Nikkaji
- J203.218J
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
Experimental & physicochemical properties
Physical DescriptionLiquid
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
This chemical does not meet GHS hazard criteria for 3.8% (2 of 53) of reports.
Danger
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt
Chemical: Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt, basic
Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt (2:1) 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)
Benzoic acid, 4-(1,1-dimethylethyl)-, zinc 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 Information
IMAP assessments - Salts of p-tert-butylbenzoic acid: Human health tier II assessment
IMAP assessments - Salts of p-tert-butylbenzoic acid: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (96.2%)
Acute toxicity - category 4
Acute toxicity - category 4
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 18,913 lb
Industry UsesOther
General Manufacturing Information
Plastics Product Manufacturing
Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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