3,5,5-Trimethylhexyl acetate

CAS Registry Number®

58430-94-7
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CAS Name

3,5,5-Trimethylhexyl acetate

Molecular Formula

C11H22O2

Molecular Mass

186.29

Cite this Page

3,5,5-Trimethylhexyl acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=58430-94-7 (retrieved 2024-04-20) (CAS RN: 58430-94-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    209 °C @ Press: 760 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3

InChIKey

InChIKey=DGKXDLCVQSQVBC-UHFFFAOYSA-N

SMILES

C(CC(C)(C)C)(CCOC(C)=O)C

Canonical SMILES

O=C(OCCC(C)CC(C)(C)C)C

Other Names for this Substance

  • 1-Hexanol, 3,5,5-trimethyl-, 1-acetate
  • 1-Hexanol, 3,5,5-trimethyl-, acetate
  • 3,5,5-Trimethylhexyl acetate
  • Vanoris
  • Neononyl acetate

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