General Information of Natural Product (ID: NP1115)
  Natural Product Name
Hexyl Butyrate
  Synonyms
HEXYL BUTYRATE; Hexyl butanoate; 2639-63-6; Butanoic acid, hexyl ester; n-Hexyl butyrate; Butyric Acid Hexyl Ester; Butyric acid, hexyl ester; n-Hexyl butanoate; 1-Hexyl butyrate; n-Hexyl n-butanoate; n-Hexyl n-butyrate; UNII-74HY6P24G7; n-Butyric acid n-hexyl ester; CHEBI:87559; 74HY6P24G7; butanoic acid hexyl ester; WE(6:0/4:0); Hexyl butyrate (natural); FEMA No. 2568; EINECS 220-136-6; BRN 1754469; AI3-33290; Butyric acid hexyl; Hexyl Butyrate Natural; DSSTox_CID_27559; DSSTox_RID_82419; DSSTox_GSID_47559; SCHEMBL128437; Hexyl butyrate, >=98%, FG; CHEMBL3182794; DTXSID8047559; Hexyl butyrate, analytical standard; ZINC2035981; Tox21_302445; LMFA07010419; MFCD00048884; AKOS015903168; Hexyl butyrate, natural, >=98%, FG; MCULE-8350935490; NCGC00256849-01; LS-13893; CAS-2639-63-6; CS-0188267; FT-0686710; Q2928816
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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/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
  InChI Key XAPCMTMQBXLDBB-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCOC(=O)CCC
  Canonical SMILES CCCCCCOC(=O)CCC
  External Links PubChem ID 17525
CAS ID 2639-63-6
NPASS ID NPC154396
CHEMBL ID CHEMBL3182794
  NP Activity Charts   Click to show/hide

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Acacia nuperrima ssp. Cassitera
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
The leaves and terminal branchlets were collected in the Dimbulah region of north eastern Queensland, Australia. The first collection (R99-218) was located 5 km north and the second collection (R99-219) 30 km west of Dimbulah.
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               Factor Function
Two chemical forms yielding 0.6% and 0.3% on a dry weight basis were found to be rich in kessane (88.8%) and alpha-pinene (16.2%), respectively.
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               Factor Part Location NP Content
 
Chemotype (Lappa type)
Leaves and terminal branches Dimbulah, Queensland, Australia
NP Content: 6 %
      Species Name: Teucrium flavum
  Factor Name: Month Variation; Developmental Stage Variation [2]
              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: February; pre-flowering stage
Leaves Italy
NP Content: 0.1 %
 
Harvesting time: April; budding stage
Leaves Italy
NP Content: 0.1 %
 
Harvesting time: April; budding stage
Leaves Italy
NP Content: 0.2 %
 
Harvesting time: December; vegetative stage
Leaves Italy
NP Content: 0.1 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane
2 Seasonal Variations of Teucrium flavum L. Essential Oil