Details of Natural Product (NP)

General Information of Natural Product (ID: NP0334)
  Natural Product Name
Cumene
  Synonyms
CUMENE; Isopropylbenzene; 98-82-8; 2-Phenylpropane; Benzene, (1-methylethyl)-; (1-Methylethyl)benzene; Cumol; Isopropylbenzol; Cumeen; Isopropilbenzene; Isopropylbenzeen; 2-Fenilpropano; 2-Fenyl-propaan; Isopropyl-benzol; Benzene, isopropyl; Propan-2-ylbenzene; Propane, 2-phenyl; i-propylbenzene; (propan-2-yl)benzene; RCRA waste number U055; (Methylethyl)benzene; Isopropylbenzen; isopropyl-benzene; NSC 8776; 4-isopropylbenzene; UNII-8Q54S3XE7K; Benzene, isopropyl-; Propane, 2-phenyl-; MFCD00008881; 8Q54S3XE7K; (1-methylethyl)benzene (cumene); CHEBI:34656; (1-methylethyl)-benzen; Cumeen [Dutch]; Phenol bottoms; Isopropylbenzeen [Dutch]; 2-Fenilpropano [Italian]; 2-Fenyl-propaan [Dutch]; Isopropyl-benzol [German]; Isopropilbenzene [Italian]; Polyphenyl residue; HSDB 172; ISOPROPYL BENZENE; Oxidized cumene polyphenyl residues; Benzene, 1-methylethyl-; EINECS 202-704-5; UN1918; RCRA waste no. U055; cumen; AI3-04630; CCRIS 9455; 2-phenyl-propane; I-Propyl-Benzene; 4-isopropyl benzene; Benzene, i-propyl-; Propane-2-yl-benzene; 1-Methylethyl-Benzene; Benzene, (1-methylethyl)-, oxidized, polyphenyl residues; Benzene,isopropyl cumol; Cumene, 98%; Benzene, (1-methylethyl)-, oxidized, sulfurized by-products; Sulfurized by-product of cumene oxidation; Isopropyl-benzol(german); (1-methylethyl)-benzene; DSSTox_CID_1827; Iso-propylbenzene (cumene); 1-Methylethylbenzene, 9CI; Cumene, analytical standard; EC 202-704-5; Isopropylbenzene [UN1918] [Flammable liquid]; DSSTox_RID_76352; DSSTox_GSID_21827; 68333-89-1; CUMENE (CUMENE HYDROPEROXIDE (80-15-9)); MLS002454396; BIDD:ER0700; CHEMBL1398949; DTXSID1021827; ISOPROPYLBENZENE (CUMENE); BENZENE,ISOPROPYL CUMOL; NSC8776; WLN: 1Y1 & R; HMS3039J15; NSC-8776; ZINC1648223; Tox21_202503; STL282733; AKOS000269066; Benzene, (1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction; MCULE-3652295432; UN 1918; CAS-98-82-8; NCGC00091155-01; NCGC00260052-01; 101316-43-2; 68936-98-1; S642; SMR001372007; Cumene, PESTANAL(R), analytical standard; Isopropylbenzene 10 microg/mL in Methanol; Isopropylbenzene 100 microg/mL in Methanol; FT-0624111; S0652; EN300-19973; Isopropylbenzene [UN1918] [Flammable liquid]; A858512; Q410107; J-520110; J-660071; Benzene,(1-methylethyl)-, oxidized, polyphenyl residues; F0001-2320; Cumene, United States Pharmacopeia (USP) Reference Standard; Cumene, Pharmaceutical Secondary Standard; Certified Reference Material
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  Formula C9H12
  Weight 120.19
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
  InChI Key RWGFKTVRMDUZSP-UHFFFAOYSA-N
  Isomeric SMILES CC(C)C1=CC=CC=C1
  Canonical SMILES CC(C)C1=CC=CC=C1
  External Links PubChem ID 7406
CAS ID 98-82-8
NPASS ID NPC135924
CHEMBL ID CHEMBL1398949
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Eucalyptus camaldulensis
  Factor Name: Variety Comparison [1]
              Species Info Factor Info
               Experiment Detail
Fresh leaves of the E. camaldulensis varieties(var. mysore and var. Catharine) were collected from 12 mature trees growing in Agodi Gardens, Ibadan, Nigeria.
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               Factor Function
The quantitatively significant constituents in die leaf oil of the two E. camaldulensis varieties were beta-pinene (9.0-17.5%), 1,8-cineole (32.8-70.4%), (Z)-beta-ocimene (11.6%) and alpha-pinene (8.8%). Monoterpenoids also made up the bulk of the two volatile oils (89.0-95.7%).
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               Factor Part Location NP Content
 
Eucalyptus camaldulensis var. Catharine
 Leaves Nigeria
NP Content: 0.7 %
      Species Name: Fragaria vesca
  Factor Name: Cultivar Comparison [2]
              Species Info Factor Info
               Experiment Detail
Whole leaves and inflorescences of two wild strawberry cultivars ('Rugia' and 'Baron von Solemacher') harvested in 2008 during the agrotechnical experiment performed by Department of Vegetable and Medicinal Plants, University of Life Sciences in Lublin, were used as a material for determinations. Samples were collected before noon at sunny and dry days at the beginning of wild strawberry's flowering stage. Material was dried up to 35 ℃ in shadow and air just after the harvest.
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               Factor Function
Depending on a cultivar, air-dry inflorescences from wild strawberry contain from 0.21% ('Baron von Solemacher' cv.) to 0.30% ('Rugia' cv.), whereas leaves contains from 0.46% ('Baron von Solemacher' cv.) to 0.62% ('Rugia' cv.) of essential oils. GC/MS analysis of essential oils achieved from studied materials revealed presence of 70 (including 59 identified) compounds in leaves of 'Rugia' cv. and 58 (including 50 identified) compounds in leaves of 'Baron von Solemacher' cv. Essential oils from inflorescences of 'Rugia' cv. contained 52 (including 47 identified), while 'Baron von Solemacher' cv. contained 54 (including 46 identified) compounds. The chromatographic analyses by GC-MS revealed that myrthenol, nonal, linalool and phthalide dibuthyl dominated in essential oils obtained from leaves, while myrthenol, citronelol, linalool and geraniol - from those of inflorescences. There were qualitative differences between oil components at both studied materials and differentiation between both cultivars, as well.
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               Factor Part Location NP Content
 
Inflorescence: Fragaria vesca cv. Baron von Solemacher
 Inflorescence Poland
NP Content: 5.85 %
 
Inflorescence: Fragaria vesca cv. Rugia
 Inflorescence Poland
NP Content: 1.51 %
 
Leaf: Fragaria vesca cv. Baron von Solemacher
 Leaves Poland
NP Content: 4.91 %
 
Leaf: Fragaria vesca cv. Rugia
 Leaves Poland
NP Content: 4.91 %
References
1 Essential Oil Composition of Two Varieties of Eucalyptus camaldulensis Dehn. from Nigeria
2 Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)