Hexanoic acid, 2-acetyl-, ethyl ester
CAS Registry Number®
1540-29-0
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CAS Name
Hexanoic acid, 2-acetyl-, ethyl esterMolecular Formula
C10H18O3Molecular Mass
186.25Cite this Page
Hexanoic acid, 2-acetyl-, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1540-29-0 (retrieved ) (CAS RN: 1540-29-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
221.5 °CDensity (2)
0.9539 g/cm³ @ Temp: 16.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Feofilaktov, V. V.; Zhurnal Obshchei Khimii, (1941), 11, 859-60, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKey
InChIKey=ZTOQBHVLCJERBS-UHFFFAOYSA-N
SMILES
C(C(OCC)=O)(CCCC)C(C)=O
Canonical SMILES
O=C(OCC)C(C(=O)C)CCCC
Other Names for this Substance
- Hexanoic acid, 2-acetyl-, ethyl ester
- Caproic acid, α-acetyl-, ethyl ester
- Ethyl 2-acetylhexanoate
- Ethyl α-butylacetoacetate
- 3-Carbethoxy-2-heptanone
Deleted or Replaced CAS Registry Numbers
152548-73-7
