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Isoamyl butyrate

CAS Registry Number®

106-27-4

CAS Name

Isoamyl butyrate

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

Isoamyl butyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106-27-4 (retrieved 2024-12-26) (CAS RN: 106-27-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    179 °C

  • Melting Point (1)

    -73.2 °C

  • Density (2)

    0.860 g/cm³ @ Temp: 154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3

InChIKey

InChIKey=PQLMXFQTAMDXIZ-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(CCC)=O

Canonical SMILES

O=C(OCCC(C)C)CCC

Other Names for this Substance

  • Butanoic acid, 3-methylbutyl ester
  • Butyric acid, isopentyl ester
  • Isopentyl alcohol, butyrate
  • Isoamyl butanoate
  • Isoamyl butyrate

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