Details of Natural Product (NP)

General Information of Natural Product (ID: NP0199)
  Natural Product Name
Ethyl Octanoate
  Synonyms
ETHYL OCTANOATE; Ethyl caprylate; 106-32-1; Octanoic acid, ethyl ester; Ethyl n-octanoate; Caprylic acid ethyl ester; Ethyl octoate; Ethyl octylate; octanoic acid ethyl ester; UNII-81C5MOP582; MFCD00009552; n-Caprylic acid ethyl ester; 81C5MOP582; WE(2:0/8:0); Ethyl octanoate (natural); FEMA No. 2449; Caprylic acid ethylester; NSC 8898; EINECS 203-385-5; BRN 1754470; AI3-01977; octanoic acid ethyl; Ethyl ester octanoic acid; Octanoic acid-ethyl ester; SCHEMBL454; DSSTox_CID_30094; DSSTox_GSID_51542; Ethyl ester of octanoic acid; n-Octanoic Acid Ethyl Ester; WLN: 7VO2; CHEMBL4633100; DTXSID8051542; CHEBI:87426; FEMA 2449; NSC8898; NSC-8898; ZINC1648316; Tox21_303730; LMFA07010447; AKOS000120258; Ethyl octanoate, >=98%, FCC, FG; MCULE-2970505348; NCGC00357039-01; CAS-106-32-1; LS-13892; Ethyl octanoate, ReagentPlus(R), >=99%; 3-Chloro-2,6-dimethoxy-5-nitrobenzoicacid; DB-040685; Octanoic acid ethyl ester (ethyl octanoate); FT-0631592; O0030; Ethyl octanoate, analytical reference material; Ethyl octanoate, natural, >=98%, FCC, FG; Ethyl octanoate, Vetec(TM) reagent grade, 98%; A801420; J-001572; Q3348790; Z794499482
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  Formula C10H20O2
  Weight 172.26
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
  InChI Key YYZUSRORWSJGET-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCC(=O)OCC
  Canonical SMILES CCCCCCCC(=O)OCC
  External Links PubChem ID 7799
CAS ID 106-32-1
CHEMBL ID CHEMBL4633100
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Vitis vinifera
  Factor Name: Variety Comparison [1]
              Species Info Factor Info
               Experiment Detail
Grape pomaces and stalks of Nero d'Avola and Frappato were donated by the ''Valle dell'Acate'' wine firm, Acate, RG, Italy - those from Nerello Mascalese and Cabernet Sauvignon were given by the ''Emanuele Scammacca Barone del Murgo'' wine firm, Santa Venerina, CT, Italy. The winemaking procedures were similar for all samples, namely grape clusters were crushed and destemmed using a destemmer-crusher. The crushed grapes were treated with sulphur dioxide (0.2-0.5% total mash) and with selected strains of Saccharomyces cerevisiae to start up the fermentation. After 6-8 days of maceration, when alcoholic fermentation was finished, the mash was pressed. Stalks coming from destemming procedure and grape pomace coming from the maceration procedure were subjected to the distillation procedures within 24 h of their collection. All materials were collected during the 2004 vintage.
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               Factor Function
On the whole, 38 components have been characterized in the samples of grape pomaces, with Frappato cv. showing the richest composition; instead, 88 components have been detected in the stalks of Frappato, Nero d'Avola, Nerello Mascalese and Cabernet Sauvignon varieties.
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               Factor Part Location NP Content
 
Vitis vinifera var. Cabernet Sauvignon
 Pomaces Italy
NP Content: 3.41 %
 
Vitis vinifera var. Cabernet Sauvignon
 Stalks Italy
NP Content: 1.09 %
 
Vitis vinifera var. Frappato
 Pomaces Italy
NP Content: 7.46 %
 
Vitis vinifera var. Frappato
 Stalks Italy
NP Content: 0.71 %
 
Vitis vinifera var. Nerello Mascalese
 Pomaces Italy
NP Content: 8.57 %
 
Vitis vinifera var. Nero d'Avola
 Pomaces Italy
NP Content: 11.63 %
 
Vitis vinifera var. Nero d'Avola
 Stalks Italy
NP Content: 0.21 %
References
1 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.