Details of Natural Product (NP)

General Information of Natural Product (ID: NP1042)
  Natural Product Name
O-Xylene
  Synonyms
O-XYLENE; 1,2-Dimethylbenzene; 1,2-Xylene; 95-47-6; Ortho-Xylene; o-Xylol; o-Methyltoluene; 2-Xylene; o-Dimethylbenzene; Benzene, 1,2-dimethyl-; 3,4-Xylene; o-Xylenes; 1,2-Dimethylbenzol; Xylene, o-; Dimethylbenzene; Benzene, o-dimethyl-; Xylenes, a mixture; NSC 60920; UNII-Z2474E14QP; BENZENE,1,2-DIMETHYL; CHEMBL45005; CHEBI:28063; Z2474E14QP; MFCD00008519; OXE; CCRIS 905; HSDB 134; Benzene, dimethyl-, chloromethylated; EINECS 202-422-2; orthoxylene; dimethyl benzene; dimethyl-benzene; AI3-08197; 2-Methyltoluene; Xylenes (mixed); Xylenes ACS; Xylene, o-isomer; ORTHO XYLENE; 1,2-dimethyl-benzene; o-Xylene, HPLC Grade; Xylene mixture of isomers; DSSTox_CID_1807; bmse000526; EC 202-422-2; DSSTox_RID_76340; o-Xylene, anhydrous, 97%; DSSTox_GSID_21807; o-Xylene, analytical standard; o-Xylene, for HPLC, 98%; WLN: 1R B1; DTXSID3021807; o-Xylene, for synthesis, 98%; 188l; o-Xylene, Spectrophotometric Grade; ZINC968282; NSC60920; o-Xylene 10 microg/mL in Methanol; Tox21_200658; BDBM50008560; NSC-60920; STL264206; o-Xylene 100 microg/mL in Methanol; AKOS000269058; o-Xylene, reagent grade, >=98.0%; MCULE-2208963094; CAS-95-47-6; NCGC00091662-01; NCGC00091662-02; NCGC00091662-03; NCGC00258212-01; o-Xylene, spectrophotometric grade, 98%; BS-20678; o-Xylene [UN1307] [Flammable liquid]; o-Xylene, SAJ special grade, >=98.5%; FT-0645147; FT-0688168; S0650; o-Xylene, puriss. p.a., >=99.0% (GC); C07212; Q2988108; F1908-0112; UNII-D856J1047R component CTQNGGLPUBDAKN-UHFFFAOYSA-N; o-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material; Xy
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  Formula C8H10
  Weight 106.16
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
  InChI Key CTQNGGLPUBDAKN-UHFFFAOYSA-N
  Isomeric SMILES CC1=CC=CC=C1C
  Canonical SMILES CC1=CC=CC=C1C
  External Links PubChem ID 7237
CAS ID 95-47-6
NPASS ID NPC238023
HIT ID C0277
CHEMBL ID CHEMBL45005
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Fritillaria imperialis
  Factor Name: Cultivar Comparison [1]
              Species Info Factor Info
               Experiment Detail
Plants of the F. imperialis cultivars Premier (very strong foxy odor) and Lutea (strong foxy odor), the F. imperialis subspecies Inodora (no odor), a cross between F. imperialis Lutea × Inodora (F1 generation, faint foxy odor) were grown from bulbs during the spring and early summer in clay soil near Midlum (Province of Friesland, The Netherlands). Bulbs, newly grown from these plants, were harvested in mid-June and stored, after removal of soil, at ambient temperature until analysis, which occurred in October and November.
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               Factor Function
GC-O revealed that the foxy odor was caused by a single component, identified as 3-methyl-2-butene-1-thiol on the basis of smell in GC-O analyses (two GC columns), mass spectra, and retention times. The abundance of 3-methyl-2-butene-1-thiol is consistent with the intensity of foxy Fritillaria odor in the F. imperialis cultivars: Premier > Lutea >> Lutea × Inodora, where the latter did not show a detectable peak in GC-MS.
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               Factor Part Location NP Content
 
Fritillaria imperialis cv. Inodora (no odor)
 Flowers Netherlends
NP Content: 1.3 %
 
Fritillaria imperialis cv. Lutea × Inodora (faint foxy odor)
 Flowers Netherlends
NP Content: 3.3 %
 
Fritillaria imperialis cv. Lutea (strong foxy odor)
 Flowers Netherlends
NP Content: 1.1 %
 
Fritillaria imperialis cv. Premier (very strong foxy odor)
 Flowers Netherlends
NP Content: 1.6 %
References
1 Identification of the Volatile Component(s) Causing the Characteristic Foxy Odor in Various Cultivars of Fritillaria imperialis L. (Liliaceae)