Details of Natural Product (NP)

General Information of Natural Product (ID: NP0597)
  Natural Product Name
2-Methylbutyl 2-Methylbutyrate
  Synonyms
2-METHYLBUTYL 2-METHYLBUTYRATE; 2445-78-5; 2-Methylbutyl 2-methylbutanoate; Butanoic acid, 2-methyl-, 2-methylbutyl ester; UNII-HYC739X7BP; dl-2-Methylbutyric acid 2-methylbutyl ester; Butyric acid, 2-methyl-, 2-methylbutyl ester; 2-Methylbutanoic acid, 2-methylbutyl ester; HYC739X7BP; 2-Methylbutyl DL-2-Methylbutyrate; 2-methylbutanoic acid 2-methyl butyl ester; FEMA No. 3359; D-2-METHYLBUTYL 2-METHYLBUTYRATE; EINECS 219-497-2; 2-Methylbutyric acid 2-methylbutyl ester; SCHEMBL1172359; FEMA 3359; DTXSID40862947; 2-methyl butyl 2-methyl butyrate; CHEBI:179543; 2-Methyl buthyl 2-methyl butanoate; 81115-67-5; CAA44578; LMFA07010723; MFCD00059395; AKOS015903350; 2-Methylbutanoic acid 2-methylbutyl ester; AS-60348; 2-methyl-butyric acid 2-methyl-butyl ester; DB-046452; CS-0328246; FT-0628829; M0578; 2-Methylbutyl 2-methylbutyrate, >=95%, FG; 2-Methylbutyl 2-methylbutyrate, natural, 98%; D91360; 2-Methylbutyl 2-methylbutyrate, natural, >=98%, FG; Q27280159
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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/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
  InChI Key PVYFCGRBIREQLL-UHFFFAOYSA-N
  Isomeric SMILES CCC(C)COC(=O)C(C)CC
  Canonical SMILES CCC(C)COC(=O)C(C)CC
  External Links PubChem ID 17129
CAS ID 2445-78-5

 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: 0.5 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.5 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil