General Information of Natural Product (ID: NP0735)
  Natural Product Name
3-Octyl Acetate
  Synonyms
3-Octyl acetate; octan-3-yl acetate; 3-Octanol, acetate; 4864-61-3; 3-Octanol, 3-acetate; Amyl ethyl carbinyl acetate; 3-Octanol acetate; Oct-3-yl ethanoate; 1-Ethyl hexyl acetate; 3-Octyl acetate (natural); FEMA No. 3583; 3-OCTYLACETATE; EINECS 225-471-1; 3-OCTANYL ACETATE; Octan-3-ol acetate; ethyl acetate=n-hexane; (+)-3-octyl acetate; 1-Ethylhexyl acetate #; (+/-)-3-Octyl acetate; n-Amyl ethyl carbonyl acetate; SCHEMBL112743; Acetic acid 1-ethylhexyl ester; Acetic acid, 1-ethylhexyl ester; FEMA 3583; DTXSID30863463; CHEBI:179545; 3-Octyl acetate, >=98%, FCC, FG; FT-0616286; 3-Octyl acetate, natural (US), >=97%, FG; Q27270741
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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/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
  InChI Key STZUZYMKSMSTOU-UHFFFAOYSA-N
  Isomeric SMILES CCCCCC(CC)OC(=O)C
  Canonical SMILES CCCCCC(CC)OC(=O)C
  External Links PubChem ID 521238
CAS ID 4864-61-3

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Mentha piperita
  Factor Name: Cultivar Comparison [1]
              Species Info Factor Info
               Experiment Detail
Dry leaves of Menlba piperita L. 'Kliment-63' and 'Zefir' of 1997 crop were used.
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               Factor Function
The oil yield from 'Zefir' was 0.97% and that from 'Kliment-63' was 0.54%. The oil from 'Zefir' was found to be rich in menthol (46.2-50.2%) and menthyl acetate (16.8-22.5%). In the oil from 'Kliment-63,' the content of these components was lower, while the menthone content was higher (20.0-23.1%).
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               Factor Part Location NP Content
 
Mentha piperita cv. Kliment-63
Leaves Bulgaria
NP Content: 0.1 %
 
Mentha piperita cv. Zefir
Leaves Bulgaria
NP Content: 0.1 %
      Species Name: Mentha rotundifolia
  Factor Name: Altitude Variation [2]
              Species Info Factor Info
               Experiment Detail
Mentha rotundifolia leaves were collected in the second week of November 2004 in two localities of Algeria (Rouina: altitude 250 m, Miliana: altitude 780 m) within the region of Ain-Defla located in northern Algeria.
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               Factor Function
Thirty-nine compounds were identified in leaf oil of sample 1 (Rouina, Algeria), the main one being cis-piperitone oxide. Thirty-nine compounds were identified in leaf oil of sample 2 (Miliana, Algeria). The main one being piperitenone oxide.
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               Factor Part Location NP Content
 
Locality: Rouina, Algeria; Altitude 250 m
Leaves Algeria
NP Content: < 0.1 %
      Species Name: Teucrium chamaedrys
  Factor Name: Locality Variation [3]
              Species Info Factor Info
               Experiment Detail
The aerial parts of T. chamaedrys were collected at the flowering stage in June 2004 near Corti, Corsica, France and near Oristano, Sardinia, Italy
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               Factor Function
The Corsican and Sardinian oils of T. chamaedrys investigated in this study were qualitatively similar but they differed by the amount of their major components. The major components were beta-caryophyllene (29.0% and 27.4%, respectively) and germacrene D (19.4% and 13.5%, respectively), followed by alpha-humulene (6.8%) and delta-cadinene (5.4%) in the Corsican oil and by caryophyllene oxide (12.3%) and alpha-humulene (6.5%) in the Sardinian oil. These quantitative differences are also noticeable on the amounts of the different class compounds. Especially, the monoterpene hydrocarbons amounted for 10.3% and 4.1% in Sardinian and Corsican oils respectively and the oxygenated sesquiterpenes amounted for 18.9% and only 7.4% in both oils, respectively. Both oils were qualitatively rather similar in comparison with those reported in the literature from various geographic regions. However, among the 87 components identified in this study, 47 minor components (< 0.6%) reported were identified for the first time in T. chamaedrys oil. This study confirms the quantitative variability of the major components according to the plant origin.
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               Factor Part Location NP Content
 
Locality: Corti, Corsica, France
Aerial parts France
NP Content: 0.1 %
 
Locality: Oristano, Sardinia, Italy
Aerial parts Italy
NP Content: <0.05 %
      Species Name: Teucrium flavum
  Factor Name: Month Variation; Developmental Stage Variation [4]
              Species Info Factor Info
               Experiment Detail
The aerial parts of T. flavum were collected in different periods from December to July 2006, from plants growing along the Ionic coast of Sicily (Italy). LF 1-LF 2-LF 3: represent the composition of leaf oils of plant samples collected in December (vegetative stage), February (pre-flowering stage) and April (budding stage) respectively; FL: flower oil; FR: fruit oil.
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               Factor Function
Some components, in all investigated plant parts, remained more or less constant during all the different phases of the plant cycle life. Worthy of note, considering the leaf oils, was that beta-pinene, limonene and germacrene D increased in the pre-flowering stage, while a series of esters and alpha-copaene, beta-caryophyllene, viridiflorol, Tmuurolol and phytol increased in the budding stage (LF3); the vegetative stage oil is generally characterized by a rich chemical composition and some constituents such as isoamyl hexanoate, alpha-humulene, bicyclogermacrene, beta-bisabolene and alpha-bisabolol reached their highest levels in this oil. In the flower oil, linalool and 1-octen-3-yl acetate were the main components compared to the amounts found in the other oils. Fruit oil composition was relatively oil poor, with beta-bisabolene, caryophyllene oxide, cadin-4-en-1-ol and phytone as the major constituents.
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               Factor Part Location NP Content
 
Harvesting time: April; budding stage
Leaves Italy
NP Content: 0.1 %
 
Harvesting time: April; budding stage
Leaves Italy
NP Content: <0.01 %
      Species Name: Thymus pseudopulegioides
  Factor Name: Locality Variation [5]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected from the following localities in north western Turkey. A = Trabzon: Caykara, Soganli dag on July 28, 1994; B = Bayburt: Caykara, Mohakambo yaylasi on July 25, 1994; C = Trabzon: Koprubasi, Vizara yaylasi on July 20, 1994.
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               Factor Function
One hundred and four compounds were identified representing 97.5-99.5% of the total components detected in thymol/carvacrol (50.14/10.67%), thymol/linalool (23.14/20.24%) and linalool/alpha-terpinyl acetate/geraniol (21.55/16.70/11.17%) rich oils.
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               Factor Part Location NP Content
 
Locality: Soganli dag, Caykara, Trabzon, Eskisehir, Turkey
Aerial parts Eskisehir, Turkey
NP Content: <0.1 %
References
1 A Comparative Investigation on the Essential Oil Composition of Two Bulgarian Cultivars of Mentha piperita L.
2 Chemical Composition of the Leaf Oil of Mentha rotundifolia (L.) from Algeria
3 Chemical Composition of the Essential Oils of Teucrium chamaedrys L. from Corsica and Sardinia
4 Seasonal Variations of Teucrium flavum L. Essential Oil
5 Composition of the Essential Oil of Thymus pseudopulegioides Klokov et Des.-Shost from Turkey