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Isobornyl formate
PHCD compound ID : 167
Chemical Names :
Isobornyl formate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) formate , formic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) formate , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) methanoate , formic acid 2-bornyl ester
Smiles: O=CO[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9+,11+/m0/s1
InChi Key : InChIKey=RDWUNORUTVEHJF-IQJOONFLSA-N
PubChem ID : 518472
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.324514
Hydrogen bond donor count : 0 Electric dipole moment : 1.880
XLogP : 3.238 VDW volume : 189.043367
Molecular weight : 182.13068 HOMO-LUMO gap : 11.339000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
12.      Journal:'Journal of Chromatography A'      Year:'2001'      Volume:'917'      Page:'245'      DOI:''      Title:'On-site ?eld sampling and analysis of fragrance from living Lavender (Lavandula angustifolia L.) ?owers by solid-phase microextraction coupled to gas chromatography and ion-trap mass spectrometry'
85.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1562'      DOI:'10.1016/j.fct.2010.03.025'      Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
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