2-Heptyl butanoate
CAS Registry Number®
39026-94-3
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CAS Name
2-Heptyl butanoateMolecular Formula
C11H22O2Molecular Mass
186.29Cite this Page
2-Heptyl butanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=39026-94-3 (retrieved ) (CAS RN: 39026-94-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
112 °C @ Press: 20 Torr
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3
InChIKey
InChIKey=GTKUPJHQSAPWLL-UHFFFAOYSA-N
SMILES
O(C(CCCCC)C)C(CCC)=O
Canonical SMILES
O=C(OC(C)CCCCC)CCC
Other Names for this Substance
- Butanoic acid, 1-methylhexyl ester
- 2-Heptyl butyrate
- 2-Heptyl butanoate
- 1-Methylhexyl butanoate
Deleted or Replaced CAS Registry Numbers
139241-40-0
