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Borrowed from Ancient Greekχάος(kháos, “vast chasm, void”). Doublet of gas, which was borrowed through Dutch.
In Early Modern English, used in the sense of the original Greek word. In the meaning "primordial matter" from the 16th century. Figurative usage in the sense "confusion, disorder" from the 17th century. The technical sense in mathematics and science dates from the 1960s.
1621, Democritus Junior , “Aire rectified. With a digression of the Aire.”, in The Anatomy of Melancholy,, Oxford, Oxfordshire: John Lichfield and Iames Short, for Henry Cripps, →OCLC, partition 2, section 2, member 3, page 320:
What is in the centre of the earth, or is it pure element only, as Ariſtotle decrees inhabited as Paracelſus thinks with creatures, whoſe Chaos is the earth with Fairies, as the woods and waters according to him, are with Nymphes or as the ayre with ſpirits.
Ano i když pomíjíme všechny všednější odstíny smyslu, básníci velebí řád, myslíce si při tom na protivu jeho, chaos, a vědouce, že ve všem co se líbí, musí být jistý řád; a na druhé straně mají právě zas řád za průjev nesvobody
Late 4th century, Jerome , transl., edited by Roger Gryson, Biblia Sacra: Iuxta Vulgatam Versionem (Vulgate), 5th edition, Stuttgart: Deutsche Bibelgesellschaft, published 2007, →ISBN, Lucam 16:26:
et in his omnibus inter nos et vos chaos magnum firmatum est ut hi qui volunt hinc transire ad vos, non possint, neque inde huc transmeare.
And besides all this, between us and you, there is fixed a great chaos: so that they who would pass from hence to you, cannot, nor from thence come hither.