1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate

CAS Registry Number®

40853-55-2

CAS Name

1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate

Molecular Formula

C12H24O2

Molecular Mass

200.32

Cite this Page

1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40853-55-2 (retrieved 2024-11-24) (CAS RN: 40853-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    99 °C

  • Density (1)

    0.8716 g/cm³ @ Temp: 17 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H24O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9-10,12H,6-8H2,1-5H3

InChIKey

InChIKey=QLFSGYMLVZGFJT-UHFFFAOYSA-N

SMILES

C(CCC(C)C)(COC(C)=O)C(C)C

Canonical SMILES

O=C(OCC(CCC(C)C)C(C)C)C

Other Names for this Substance

  • 1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate
  • 1-Hexanol, 5-methyl-2-(1-methylethyl)-, acetate
  • 1-Hexanol, 2-isopropyl-5-methyl-, acetate
  • 2-Isopropyl-5-methylhexyl acetate

CAS INSIGHTSTM
Hourglass and a clock