Details of Natural Product (NP)

General Information of Natural Product (ID: NP0599)
  Natural Product Name
2-Methylbutyl Isobutyrate
  Synonyms
2-Methylbutyl isobutyrate; 2445-69-4; 2-Methylbutyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 2-methylbutyl ester; Isobutyric acid, 2-methylbutyl ester; 2-Methylbutyl 2-methylpropionate; WE(4:0(2Me)/3:0(2Me)); EINECS 219-493-0; 2-Metylbutyl Isobutyrate; AI3-06019; SCHEMBL6060785; DTXSID80862946; 2-methylbutyl 2-methylpropa-noate; CHEBI:167088; ACT03410; Isobutyric acid 2-methylbutyl ester; NSC53946; Propanoic acid, 2-methylbutyl ester; LMFA07010569; NSC 53946; NSC-53946; AKOS028109861; 2-methylpropanoic acid 2-methylbutyl ester; FT-0628833; A817314; Q27291007
Click to Show/Hide
  Formula C9H18O2
  Weight 158.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
  InChI Key DUAXUBMIVRZGCO-UHFFFAOYSA-N
  Isomeric SMILES CCC(C)COC(=O)C(C)C
  Canonical SMILES CCC(C)COC(=O)C(C)C
  External Links PubChem ID 97883
CAS ID 2445-69-4

 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
Click to Show/Hide
               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.
Click to Show/Hide
               Factor Part Location NP Content
 
Locality: Emilia-Romagna region, Italy
 Whole plant Italy
NP Content: 3.1 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 3.5 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil