General Information of Natural Product (ID: NP0190)
  Natural Product Name
3-Methylhexane
  Synonyms
3-METHYLHEXANE; 589-34-4; Hexane, 3-methyl-; 2-Ethylpentane; Alkanes, C7-8-iso-; 3-methyl hexane; 3-Methyl-hexane; NSC73937; EINECS 209-643-3; NSC 73937; 3-Methylhexane, 99%; DSSTox_CID_8974; (S)-(+)-3-methylhexane; DSSTox_RID_80156; DSSTox_GSID_44334; CHEMBL31377; Hexane, 3-methyl-, (S)-; DTXSID3044334; CHEBI:143848; Tox21_202850; 7810AF; MFCD00009408; NSC-73937; AKOS015841881; NCGC00260396-01; 70024-92-9; CAS-589-34-4; 3-Methylhexane, purum, >=98.0% (GC); DB-053287; FT-0616164; M0340; D91320; Q223103
Click to Show/Hide
  Formula C7H16
  Weight 100.2
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
  InChI Key VLJXXKKOSFGPHI-UHFFFAOYSA-N
  Isomeric SMILES CCCC(C)CC
  Canonical SMILES CCCC(C)CC
  External Links PubChem ID 11507
CAS ID 589-34-4
CHEMBL ID CHEMBL31377
  NP Activity Charts   Click to show/hide

 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.
Click to Show/Hide
               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.
Click to Show/Hide
               Factor Part Location NP Content
 
Vitis vinifera var. Cabernet Sauvignon
Pomaces Italy
NP Content: 0.34 %
 
Vitis vinifera var. Nero d'Avola
Stalks Italy
NP Content: 3.04 %
References
1 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.