Details of Natural Product (NP)

General Information of Natural Product (ID: NP0225)
  Natural Product Name
Isoamyl Alcohol
  Synonyms
Isoamyl alcohol; 3-Methyl-1-butanol; Isopentyl alcohol; 3-Methylbutan-1-ol; 123-51-3; Isopentanol; 3-Methylbutanol; 1-Butanol, 3-methyl-; Isoamylol; Isobutylcarbinol; Iso-amylalkohol; Fusel Oil; Iso-amyl alcohol; 2-Methyl-4-butanol; Isobutyl carbinol; ISOAMYLALCOHOL; Alcool isoamylique; Fermentation amyl alcohol; Alcool amilico; Amylowy alkohol; Isoamyl alkohol; i-Amyl Alcohol; Primary isoamyl alcohol; 3-Metil-butanolo; isopentan-1-ol; Isoamyl alcohol (natural); MFCD00002934; isoamyl-alcohol; 3-Methyl-Butan-1-Ol; Isoamyl alcohol, primary; UNII-DEM9NIT1J4; 3-methyl-Butanol; NSC 1029; Methyl-3-butan-1-ol; Butan-1-ol, 3-methyl; DEM9NIT1J4; Fuseloel; Huile de fusel; CHEBI:15837; 3-METHYL-BUTAN-(1)-OL; iso-pentanol; WLN: Q2Y1 & 1; FEMA Number 2057; Isoamyl alkohol [Czech]; Alcool amilico [Italian]; Amylowy alkohol [Polish]; Iso-amylalkohol [German]; 1-Hydroxy-3-Methylbutane; Alcool isoamylique [French]; 3-Metil-butanolo [Italian]; FEMA No. 2057; HSDB 605; EINECS 204-633-5; Isopentyl alcohol (8CI); iso-amylalcohol; isopentylalcohol; Isopentylalkohol; AI3-15288; CCRIS 8806; 3-methylbutanoI; 3-methyl butanol; 3-methyl 1-butanol; 3-methyl-1 butanol; 3-methylbutane-1-ol; Butanol, 3-methyl-; Isoamyl alcohol (primary and secondary); 6423-06-9; DSSTox_CID_5469; EC 204-633-5; DSSTox_RID_77799; DSSTox_GSID_25469; 3-Methyl-1-butanol, 98%; CHEMBL372396; QSPL 002; DTXSID3025469; Isoamyl alcohol, >=98%, FG; NSC1029; NSC7905; ZINC896830; Isoamyl alcohol (3-methyl butanol); NSC-1029; NSC-7905; 3-Methylbutanol, analytical standard; EINECS 229-179-5; Tox21_302359; 7340AF; LMFA05000108; STL282718; 3-Methyl-1-butanol A.C.S. Reagent; 3-Methyl-1-butanol, LR, >=98%; AKOS000118739; Magnesium bis(3-methylbutan-1-olate); NATURAL ISOAMYL ALCOHOL P & F; DB02296; MCULE-7411270401; 3-Methyl-1-butanol, mixture of isomers; 3-Methyl-1-butanol, p.a., 99.8%; Isoamyl alcohol, natural, >=98%, FG; 3-Methyl-1-butanol, analytical standard; NCGC00255329-01; 3-Methyl-1-butanol, anhydrous, >=99%; CAS-123-51-3; 3-Methyl-1-butanol, reagent grade, 98%; 3-Methyl-1-butanol, technical grade, 95%; ISOAMYL ALCOHOL ULTRA PURE GRADE 1L; FT-0616032; I0289; 3-Methyl-1-butanol, ACS reagent, >=98.5%; 3-Methyl-1-butanol, biotech. grade, >=99%; 3-Methyl-1-butanol, ReagentPlus(R), >=99%; C07328; NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE; 3-Methyl-1-butanol, SAJ first grade, >=96.0%; Q223101; 3-Methyl-1-butanol, JIS special grade, >=98.0%; F0001-0367; Z955123582; UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N; 3-Methylbutanol, BioReagent, for molecular biology, >=98.5%; 3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC); 3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC); 3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard; 3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%
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  Formula C5H12O
  Weight 88.15
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
  InChI Key PHTQWCKDNZKARW-UHFFFAOYSA-N
  Isomeric SMILES CC(C)CCO
  Canonical SMILES CC(C)CCO
  External Links PubChem ID 31260
CAS ID 123-51-3
NPASS ID NPC256186
CHEMBL ID CHEMBL372396
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Tanacetum cadmeum ssp. orientale
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected during the flowering period in July 2002 from the Dumluca Mountain in the vicinity of Divrigi village of Sivas city at 1900 m altitude and Saksagan Gorge in Saimbeyli village of Adana city at 1900 m altitude.
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               Factor Function
The flower, stem and root oils of T. cadmeum ssp. orientale collected from the Adana location were characterized with alpha-thujone (25%, 5.2%), cis-linalool oxide (6.8%, 12.8%), trans-chrysanthenyl acetate (5.8%, 8.5%) for flower and stem oils, and beta-eudesmol (10.3%, 6.2%, 13.8%); in addition, stem oil contained 1,8-cineole (6.6%) and root oil contained hexadecanoic acid (6.0%), spathulenol (5.8%) and beta-muurolol (5.3%). The flower and stem oils of T. cadmeum ssp. orientale collected from the Sivas location were characterized with camphor (25.9%, 14.8%), borneol (15.4%, 25.8%) and alpha-thujone (7.8%, 5.5%); in addition, stem oil contained 1,8-cineole (7.4%) and root oil contained nonacosane (16.2%), spathulenol (6.8%) and hexadecanoic acid (5.8%).
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               Factor Part Location NP Content
 
Flower: (Locality: Adana, Turkey)
 Flowers Adana, Turkey
NP Content: <0.1 %
 
Flower: (Locality: Sivas, Turkey)
 Flowers Sivas, Turkey
NP Content: 0.3 %
      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
 Stalks Italy
NP Content: < 0.05 %
 
Vitis vinifera var. Frappato
 Stalks Italy
NP Content: < 0.05 %
 
Vitis vinifera var. Nero d'Avola
 Stalks Italy
NP Content: 6.73 %
References
1 The Variation in the Essential Oil Composition of Tanacetum cadmeum (Boiss.) Heywood ssp. orientale Grierson from Turkey
2 Volatile components of grape pomaces from different cultivars of Sicilian Vitis vinifera L.