Ethyl Heptanoate
Ethyl_heptanoate synonyms
Ethyl heptoate; Ethyl heptylate; Ethyl Heptanoate; Cognac oil; Ethyl oenanthate; Ethyl heptanoate; Grape oil; Heptanoic acid, ethyl ester; Oenanthic ether; Ethyl enanthate; Aether oenanthicus
Graphical representations:
View large 3D structure
Molecular Formula: C9H18O2
Natural Isotopic Abundance Mass: 158.23802
Mono-Isotopic Molecular Masses:
- C12N14: 158.130679822
- C13N14: 167.1608733622
- C12N15: 158.130679822
- C13N15: 167.1608733622
InChI string: InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
PubChem Compound (CID): 7797CAS Registry number: 106-30-9
Sigma-Aldrich: 112364_ALDRICH
ChemIDplus: 000106309
ChemSpider: 13722111
EINECS: 203-382-9
CCRIS: 1344
DTP/NCI: 8891
EPA DSSTox: 45869
ZINC: ZINC01648312
Beilstein Handbook Reference: 4-02-00-00960
ChemDB: 6529786
NIST Chemistry WebBook: 954101375
MMCD: cq_10795
MDL: MFCD00009538
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)