RIFM fragrance ingredient safety assessment, isobutyric acid, CAS Registry Number 79-31-2

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There are insufficient toxicity data on isobutyric acid (CAS # 79-31-2). Hence, in silico evaluation was conducted to determine read-across analogs for this material. Based on structural similarity, reactivity, physical–chemical properties, and expert judgment, propionic acid (CAS # 79-09-4) and isovaleric acid (CAS # 503-74-2) were identified as read-across analogs with sufficient data for toxicological evaluation.

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