Details of Natural Product (NP)

General Information of Natural Product (ID: NP0603)
  Natural Product Name
Butyl Butyrate
  Synonyms
Butyl butyrate; Butyl butanoate; 109-21-7; n-Butyl butyrate; Butanoic acid, butyl ester; Butyric Acid Butyl Ester; n-Butyl butanoate; 1-Butyl butyrate; Butyl butylate; N-BUTYL N-BUTYRATE; Butyric acid, butyl ester; Butyl n-butyrate; Butylbutyrate; n-Butyl n-butanoate; butryl butyrate; NSC 8458; UNII-1BHV00T1M4; Butyl ester of butanoic acid; n-Butyric acid n-butyl ester; 1BHV00T1M4; WE(4:0/4:0); Butyl butyrate (natural); FEMA No. 2186; CCRIS 6551; butanoic acid butyl ester; n-BUTYL-n-BUTYRATE; EINECS 203-656-8; BRN 1747101; AI3-06125; Butyric acid butyl; Butyl Butyrate Natural; Butyl butyrate, 98%; n-butyric n-butyl ester; Butyric acid-butyl ester; Butyric acid n-butyl ester; 4-02-00-00789 (Beilstein Handbook Reference); WLN: 4OV3; SCHEMBL113994; DTXSID7041702; CHEBI:87429; FEMA 2186; NSC8458; Butyl butyrate, analytical standard; NSC-8458; ZINC1586750; LMFA07010418; MFCD00009450; Butyl butyrate, >=98%, FCC, FG; AKOS009165857; MCULE-3979612740; LS-13508; DB-003606; B0757; Butyl butyrate, natural, >=98%, FCC, FG; FT-0654703; A801979; J-002246; J-519960; Q2212471
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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/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
  InChI Key XUPYJHCZDLZNFP-UHFFFAOYSA-N
  Isomeric SMILES CCCCOC(=O)CCC
  Canonical SMILES CCCCOC(=O)CCC
  External Links PubChem ID 7983
CAS ID 109-21-7

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Chamaemelum nobile
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Two different Roman chamomile oils were obtained from Giardino Officinale in Casola Valsenio (RA - Italy). One oil was distilled from chamomile plants grown in the Emilia-Romagna region (E), and the other one came from the Piemonte region (P) in Northern Italy
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               Factor Function
No significant differences were found in the composition of the two oils which were characterized by a high content of isobutyl angelate (36.3-38.5%), 2-methylbutyl angelate (18.2-20.3%) and other angelate esters.
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               Factor Part Location NP Content
 
Locality: Emilia-Romagna region, Italy
 Whole plant Italy
NP Content: 0.8 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.9 %
      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
 
Harvesting time: April; budding stage
 Leaves Italy
NP Content: <0.01 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil
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