Details of Natural Product (NP)

General Information of Natural Product (ID: NP0196)
  Natural Product Name
Ethyl Hexanoate
  Synonyms
Ethyl caproate; ETHYL HEXANOATE; 123-66-0; Hexanoic acid, ethyl ester; Ethyl hexoate; Hexanoic Acid Ethyl Ester; Caproic acid ethyl ester; Capronic ether absolute; Ethyl n-hexanoate; Ethyl butyl acetate; Ethyl hexanoate (caproate); Acetic acid, butyl-, ethyl ester; UNII-FLO6YR1SHT; n-Caproic acid ethyl ester; NSC 8882; Ethyl ester of hexanoic acid; FLO6YR1SHT; Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide; WE(2:0/6:0); FEMA No. 2439; CCRIS 6555; Caproic acid ethylester; EINECS 204-640-3; Ethyl hexanoate (caproate) (natural); BRN 1701293; AI3-15347; Ethyl n-hexanoat; 2-Ethyl Hexanoate; Hexanoic acid ethyl; Nat.Ethyl Hexanoate; MFCD00009511; Ethyl Hexanoate, Natural; Hexanoic acid-ethyl ester; DSSTox_CID_1980; Ethyl butyl acetate (dot); Hexanoic acid ethyl ester; ; Ethyl hexanoate, >=99%; DSSTox_RID_76440; DSSTox_GSID_21980; SCHEMBL37297; NATURAL ETHYL CAPROATE; WLN: 5VO2; DTXSID3021980; CHEBI:86055; FEMA 2439; NSC8882; NSC-8882; ZINC1648304; Tox21_301217; 7966AF; LMFA07010434; AKOS008947981; Ethyl hexanoate, >=98%, FCC, FG; MCULE-5403677128; NCGC00255157-01; CAS-123-66-0; LS-13515; FT-0654031; H0108; Ethyl hexanoate, analytical reference material; Ethyl hexanoate, natural, >=98%, FCC, FG; Hexanoic acid, mixt. with soybean oil epoxide; Ethyl hexanoate, SAJ special grade, >=99.0%; Q905406; J-004970; Hexanoic acid-ethyl ester 10 microg/mL in Acetonitrile
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  Formula C8H16O2
  Weight 144.21
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
  InChI Key SHZIWNPUGXLXDT-UHFFFAOYSA-N
  Isomeric SMILES CCCCCC(=O)OCC
  Canonical SMILES CCCCCC(=O)OCC
  External Links PubChem ID 31265
CAS ID 123-66-0

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Eugenia dysenterica
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Unripe, semi-ripe, and ripe fruits of E. dysenterica were collected in rural area of Abadia de Goias city (S 16° 45′ 1″, W 49° 25′ 5″, 850 m), Goias State, Brazil, in October 2002.
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               Factor Function
Limonene (25.8% and 24.6%), (E)-beta-ocimene (20.3% and 21.7%) and beta-pinene (12.0% and 14.2%) were the major compounds in the unripe and semi-ripe stages, respectively, while gamma-muurolene (25.8%), beta-caryophyllene (18.4%) and alpha-humulene (15.4%) became the major compounds in ripe fruits. The concentration of monoterpenes was high in the unripe and semi-ripe stages and decreased afterwards, while sesquiterpenes were intensively synthesized only in the last part of the ripening process.
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               Factor Part Location NP Content
 
Fruit: Semi-ripe fruit stage
 Semi-ripe fruits Brazil
NP Content: 0.2 %
 
Fruit: Ripe fruit stage
 Ripe fruits Brazil
NP Content: 0.7 %
      Species Name: Vitis vinifera
  Factor Name: Variety Comparison [2]
              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: 0.38 %
 
Vitis vinifera var. Frappato
 Pomaces Italy
NP Content: 0.67 %
 
Vitis vinifera var. Nerello Mascalese
 Pomaces Italy
NP Content: 0.43 %
 
Vitis vinifera var. Nero d'Avola
 Pomaces Italy
NP Content: 1.08 %
References
1 Changes in Volatile Constituents During Fruit Ripening of Wild Eugenia dysenterica DC.
2 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.