The IUPAC name of Calcium aluminate is calcium oxido(oxo)alumane. With the CAS registry number 12042-68-1, it is also named as Dialuminium calcium tetraoxide. The product's category is Inorganics, and the other registry numbers are 193901-41-6; 216597-83-0; 303190-12-7; 488703-54-4; 544695-36-5; 79176-81-1. Besides, it is white monoclinic, triclinic or orthorhombic crystals, which is hygroscopic. In addition, its molecular formula is Al₂CaO₄ and molecular weight is 158.04.

The other characteristics of this product can be summarized as: (1)EINECS: 234-931-0; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 0; (5)Exact Mass: 157.905327; (6)MonoIsotopic Mass: 157.905327; (7)Topological Polar Surface Area: 80.3; (8)Heavy Atom Count: 7; (9)Complexity: 7.5; (10)Melting Point: 1600 °C.

Preparation and Uses of Calcium aluminate: this chemical can be prepared by congruent melting of CaO and Al₂O₃. Additionally, it can be used for the manufacture of portland cement. It can also be used for the production of aluminum sulfate, polymeric aluminum.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Ca+2].[O-][Al]=O.[O-][Al]=O
(2)InChI: InChI=1/2Al.Ca.4O/q;;+2;;;2*-1/r2AlO2.Ca/c2*2-1-3;/q2*-1;+2
(3)InChIKey: XFWJKVMFIVXPKK-KNRSMWKCAL