Details of Natural Product (NP)

General Information of Natural Product (ID: NP1139)
  Natural Product Name
Octyl Acetate
  Synonyms
Octyl acetate; 112-14-1; n-Octyl acetate; Acetic acid, octyl ester; Acetic acid octyl ester; 1-Octyl acetate; Caprylyl acetate; Octyl ethanoate; n-Octanyl acetate; n-Octyl ethanoate; 1-Octanol acetate; Acetate C-8; Octyl alcohol acetate; Octyl acetate, normal; Acetic acid n-octyl ester; UNII-X0FN2J413S; NSC 67348; X0FN2J413S; CHEBI:87495; octanol acetate; Octyl acetate (natural); FEMA No. 2806; EINECS 203-939-6; BRN 1754554; octanyl acetate; 1-acetoxyoctane; AI3-11269; Acetic acid octyl; MFCD00009562; Octyl Acefafe,(S); Octyl acetate (van); Octyl acetate, >=99%; SCHEMBL1500; DSSTox_CID_24202; DSSTox_RID_80115; NCIOpen2_000238; DSSTox_GSID_44202; 4-02-00-00165 (Beilstein Handbook Reference); WLN: 8OV1; CHEMBL2228456; DTXSID8044202; FEMA 2806; Octyl acetate, analytical standard; ACN-S002421; HY-N0308; NSC67348; ZINC1694404; Tox21_302296; BBL027760; LMFA07010197; NSC-67348; s2999; STL373498; Octyl acetate, >=98%, FCC, FG; AKOS015915408; MCULE-8590238161; NCGC00255907-01; CAS-112-14-1; S144; VS-08590; A0042; CS-0008806; FT-0621755; Octyl acetate, natural, >=98%, FCC, FG; A802497; J-002713; Q2173897; Z762364710
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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/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
  InChI Key YLYBTZIQSIBWLI-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCCOC(=O)C
  Canonical SMILES CCCCCCCCOC(=O)C
  External Links PubChem ID 8164
CAS ID 112-14-1
NPASS ID NPC196442
CHEMBL ID CHEMBL2228456
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Fortunella japonica Lour. Swingle
  Factor Name: Heat Stress Treatment [1]
              Species Info Factor Info
               Experiment Detail
The investigation was carried out on kumquat [Fortunella japonica Lour. Swingle] cv. Ovale, grown in an experimental orchard located in central western Sardinia (Italy), receiving standard horticultural practices. Fruits were randomly harvested in March, when commercially mature (total soluble solids content/titratable acidity ratio = 5.24) and delivered to the laboratory immediately after harvest. Medium-size fruits free from defects were selected, placed into boxes (100 fruits per box), and grouped into two treatment groups of three boxes each (replications). The fruits of the first group were untreated (control fruit), whereas fruits of the second group were subjected to a standard treatment, water dipping at 50 &#8451 for 2 min, for extending the postharvest life of kumquat fruit. Dip treatment was performed as described previously. After treatments, fruits were allowed to dry at room temperature and stored for 21 days at 17 &#8451 and ca. 80% relative humidity (simulated shelf-life conditions). All analyses were performed following treatments and at the end of storage.
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               Factor Function
The concentration of the essential oil and the relative percentage of the individual components of the essential oil were not affected by HWD except for the minor compound p-menta-1,5-dien-1-ol, which increased after HWD.
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               Factor Part Location NP Content
 
Control: stored for 0 days
 fruit Sardinia, Italy
NP Content: 0.09 %
 
HWD (Hot Water Dipping treatment: water dipping at 50 ℃ for 2 min) : stored for 0 days
 fruit Sardinia, Italy
NP Content: 0.11 %
 
Control: stored for 21 days at 17 ℃
 fruit Sardinia, Italy
NP Content: 0.1 %
 
HWD: stored for 21 days at 17 ℃
 fruit Sardinia, Italy
NP Content: 0.14 %
      Species Name: Maclura pomifera
  Factor Name: Developmental Stage Variation [2]
              Species Info Factor Info
               Experiment Detail
Unripe fruits of M. pomifera were collected on the tree from a hedge in August 1999 located on state-owned land in Boone County, IA. Ripe fruits were collected from the ground at the same hedge in October 1999.
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               Factor Function
The most notable difference between the unripe and ripe fruits was the increase in hexyl hexanoate in the ripe fruit. Gamma-Cadinene and alpha-cubebene were the most abundant sesquiterpenoids.
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               Factor Part Location NP Content
 
Fruit: ripe
 Fruits Boone county, USA
NP Content: 0.3 %
      Species Name: Teucrium flavum
  Factor Name: Month Variation; Developmental Stage Variation [3]
              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
 
Fruit oil
 Fruits Italy
NP Content: <0.01 %
References
1 Influence of postharvest hot water treatment on nutritional and functional properties of kumquat (Fortunella japonica Lour. Swingle Cv. Ovale) fruit
2 Identification of Components of Osage Orange Fruit (Maclura pomifera) and Their Repellency to German Cockroaches
3 Seasonal Variations of Teucrium flavum L. Essential Oil