General Information of Natural Product (ID: NP0770)
  Natural Product Name
Ethylbenzene
  Synonyms
ETHYLBENZENE; 100-41-4; Phenylethane; Ethylbenzol; Ethyl benzene; Benzene, ethyl-; Aethylbenzol; Ethylenzene; Ethylbenzeen; Etilbenzene; Etylobenzen; alpha-Methyltoluene; NCI-C56393; 1-ethylbenzene; UNII-L5I45M5G0O; NSC 406903; ETHYL-BENZENE; CHEMBL371561; L5I45M5G0O; EB; CHEBI:16101; Ethylbenzeen [Dutch]; Etylobenzen [Polish]; Aethylbenzol [German]; Etilbenzene [Italian]; Polyethylbenzene; Benzene, ethyl-, benzylated; HSDB 84; CCRIS 916; EINECS 202-849-4; UN1175; 1-phenylethane; AI3-09057; PYJ; EINECS 272-685-6; .alpha.-Methyltoluene; 158507-69-8; 20302-26-5; 287399-33-1; Ethylbenzene-[13C2]; DSSTox_CID_596; SYN; Ethylbenzene-2-[13C]; Ethylbenzene [UN1175] [Flammable liquid]; EC 202-849-4; DSSTox_RID_75679; DSSTox_GSID_20596; WLN: 2R; 68908-88-3; BIDD:ER0246; ghl.PD_Mitscher_leg0.1024; QSPL 092; DTXSID3020596; Ethylbenzene, analytical standard; Ethylbenzene, anhydrous, 99.8%; ZINC968270; AMY11052; 2-Phenylethane-1,1,1-triylradical; Tox21_201064; 7890AF; BDBM50167951; Ethylbenzene, ReagentPlus(R), 99%; MFCD00011647; NSC406903; STL282714; AKOS000120140; MCULE-6974188032; NSC-406903; UN 1175; NCGC00090768-01; NCGC00090768-02; NCGC00258617-01; BS-18982; CAS-100-41-4; Ethylbenzene 10 microg/mL in Cyclohexane; Ethylbenzene 100 microg/mL in Cyclohexane; DB-045168; 2-Ethyl-2,5-cyclohexadiene-1,4-diylradical; E0064; FT-0626285; FT-0637975; S0646; C07111; Q409184; J-000128; J-521339; F0001-0016; UNII-D856J1047R component YNQLUTRBYVCPMQ-UHFFFAOYSA-N; Ethylbenzene, United States Pharmacopeia (USP) Reference Standard; Ethylbenzene solution, certified reference material, 5000 mug/mL in methanol; Ethylbenzene solution, NMR reference standard, 1% in chloroform-d (99.8 atom % D); Ethylbenzene solution, NMR reference standard, 10% in chloroform-d (99.8 atom % D); Ethylbenzene, Pharmaceutical Secondary Standard; Certified Reference Material; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d ('100%', 99.96 atom % D); Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), NMR tube size 3 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), NMR tube size 8 mm x 7 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, chromium(III) acetylacetonate 0.1 mg/mL, NMR tube size 5 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 10 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 3 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 5 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 5 mm x 8 in. , ultra-thin wall; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 8 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 0.1% in chloroform-d (99.8 atom % D), TMS 0.1 %; Ethylbenzene solution, NMR reference standard, 0.4% in chloroform-d (99.8 atom %), NMR tube size 3 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 10% in chloroform-d (99.8 atom % D), NMR tube size 10 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 10% in chloroform-d (99.8 atom % D), NMR tube size 3 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 10% in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in. , ultra-thin wall; Ethylbenzene solution, NMR reference standard, 10% in chloroform-d (99.8 atom % D), TMS 0.01 %, NMR tube size 5 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 5% in chloroform-d (99.8 atom % D), TMS 1 %, NMR tube size 5 mm x 7 in.; Ethylbenzene solution, NMR reference standard, 5% in chloroform-d (99.8 atom % D), TMS 2 %, NMR tube size 3 mm x 8 in.; Ethylbenzene solution, NMR reference standard, 5% in chloroform-d (99.8 atom % D), TMS 2 %, NMR tube size 5 mm x 8 in.
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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/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
  InChI Key YNQLUTRBYVCPMQ-UHFFFAOYSA-N
  Isomeric SMILES CCC1=CC=CC=C1
  Canonical SMILES CCC1=CC=CC=C1
  External Links PubChem ID 7500
CAS ID 100-41-4
NPASS ID NPC65873
CHEMBL ID CHEMBL371561
  NP Activity Charts   Click to show/hide

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Thymus leucostomus
  Factor Name: Altitude Variation [1]
              Species Info Factor Info
               Experiment Detail
Herbal parts were collected from A = Eskisehir: Suluagac village in Turkey, altitude 1100 m, in July 1990 and B = Corum: Osmancik, Berk village in Turkey, altitude 580-600 m, on 22 June 1993.
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               Factor Function
One chemotype (Suluagac village, Eskisehir, Turkey) contained carvacrol (21.59%), p-cymene (17.80%) and thymol (14.10%); and the other chemotype (Berk village, Corum, Turkey) contained alpha-terpinyl acetate (23.80%), borneol (12.85%), linalool (13.67%) and thymol (11.31%) as major constituents.
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               Factor Part Location NP Content
 
Locality: Suluagac village, Eskisehir, Turkey; Altitude 1100 m
Herbal parts Turkey
NP Content: 0.09 %
References
1 Essential Oil of Thymus leucostomus Hausskn. et Velen. var. leucostomus