CAS 40379-24-6PubChem CID 42745
3,5,5-Trimethylhexyl acetate
Isononyl acetate appears as a clear colorless liquid with a sweet ester odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may cause irritation and dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness. Vapors are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema. — CAMEO Chemicals
- IUPAC name
- 3,5,5-trimethylhexyl acetate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29 g/mol
- Exact mass
- 186.161979940 Da
- XLogP3
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Nonanyl acetate1-Hexanol, 3,5,5-trimethyl-, acetateEINECS 261-245-9Acetic Acid 3,5,5-Trimethylhexyl Ester3,5,5-Trimethylhexan-1-ol acetateUNII-9HMD71U17ZBRN 1758391VANORIS
16 more reported names
9HMD71U17Z1-Hexanol, 3,5,5-trimethyl-, 1-acetate3,5,5-Trimethyl-1-hexanol, acetateEC 261-245-9ACETIC ACID, 3,5,5-TRIMETHYLHEXYL ESTER4-02-00-00168 (Beilstein Handbook Reference)RefChem:91311254-898-6261-245-9DGKXDLCVQSQVBC-UHFFFAOYSA-NExxate 900Isononyl acetateISONONYL ALCOHOL, ACETATEZ6Z59LRU9X3,5,5-Trimethyl-1-hexanol acetate3,5,5-trimethyl hexylacetate
External database identifiers
- ChEMBL:CHEMBL3188283
- EPA DTXSID:DTXSID0041270
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.