Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt (2:1)

CAS Registry Number®

52509-84-9

CAS Name

Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt (2:1)

Molecular Formula

C11H14O2.1/2Ca

Cite this Page

Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52509-84-9 (retrieved 2024-12-02) (CAS RN: 52509-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14O2.Ca/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);

InChIKey

InChIKey=SEWLTKKSWARSJO-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=CC=C(C(O)=O)C=C1.[Ca]

Canonical SMILES

[Ca].O=C(O)C1=CC=C(C=C1)C(C)(C)C

Other Names for this Substance

  • Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt (2:1)
  • Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt
  • Calcium p-tert-butylbenzoate
  • Calcium 4-tert-butylbenzoate
  • Calcium 4-(1,1-dimethylethyl)benzoate

CAS INSIGHTSTM
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