General Information of Natural Product (ID: NP0619)
  Natural Product Name
Butylbenzene
  Synonyms
Butylbenzene; N-BUTYLBENZENE; 104-51-8; 1-Phenylbutane; Benzene, butyl-; 1-Butylbenzene; Butane, phenyl-; butyl-benzene; UNII-S8XZ2901RZ; CHEMBL195441; S8XZ2901RZ; CHEBI:44194; MFCD00009463; Butylbenzene, analytical standard; n-butyl benzene; N4B; HSDB 7211; NSC 8465; EINECS 203-209-7; BRN 1903395; 4n-butylbenzene; AI3-00119; normalbutylbenzene; 3-n-butylbenzene; normal butylbenzene; Normal-butylbenzene; Benzene, n-butyl-; Butylbenzene, >=99%; DSSTox_CID_2472; DSSTox_RID_76597; DSSTox_GSID_22472; WLN: 4R; 4-05-00-01033 (Beilstein Handbook Reference); BIDD:ER0273; DTXSID6022472; NSC8465; 186l; NSC-8465; ZINC1586756; Tox21_300511; 1015AA; BDBM50167957; STL483074; AKOS000121610; NCGC00248079-01; NCGC00254529-01; CAS-104-51-8; LS-13807; B0713; FT-0658501; S0667; C18150; H11923; J-001189; J-519968; Q16081199; F0001-0089; Z1939437398
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  Formula C10H14
  Weight 134.22
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
  InChI Key OCKPCBLVNKHBMX-UHFFFAOYSA-N
  Isomeric SMILES CCCCC1=CC=CC=C1
  Canonical SMILES CCCCC1=CC=CC=C1
  External Links PubChem ID 7705
CAS ID 104-51-8
NPASS ID NPC300345
CHEMBL ID CHEMBL195441
  NP Activity Charts   Click to show/hide

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Tanacetum cadmeum ssp. orientale
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected during the flowering period in July 2002 from the Dumluca Mountain in the vicinity of Divrigi village of Sivas city at 1900 m altitude and Saksagan Gorge in Saimbeyli village of Adana city at 1900 m altitude.
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               Factor Function
The flower, stem and root oils of T. cadmeum ssp. orientale collected from the Adana location were characterized with alpha-thujone (25%, 5.2%), cis-linalool oxide (6.8%, 12.8%), trans-chrysanthenyl acetate (5.8%, 8.5%) for flower and stem oils, and beta-eudesmol (10.3%, 6.2%, 13.8%); in addition, stem oil contained 1,8-cineole (6.6%) and root oil contained hexadecanoic acid (6.0%), spathulenol (5.8%) and beta-muurolol (5.3%). The flower and stem oils of T. cadmeum ssp. orientale collected from the Sivas location were characterized with camphor (25.9%, 14.8%), borneol (15.4%, 25.8%) and alpha-thujone (7.8%, 5.5%); in addition, stem oil contained 1,8-cineole (7.4%) and root oil contained nonacosane (16.2%), spathulenol (6.8%) and hexadecanoic acid (5.8%).
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               Factor Part Location NP Content
 
Flower: (Locality: Adana, Turkey)
Flowers Adana, Turkey
NP Content: <0.1 %
 
Stem: (Locality: Adana, Turkey)
Stems Adana, Turkey
NP Content: <0.1 %
 
Flower: (Locality: Sivas, Turkey)
Flowers Sivas, Turkey
NP Content: 0.1 %
      Species Name: Thymus striatus
  Factor Name: Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
Aerial parts of the plant were collected from four localities: A = Kirklareli: Karadere in May 1991; B = Kirklareli: Karahamza Village in May 1990; C = Kirklareli: Evciler Village on 13 June 1993; D = Kirklareli: Korukoy on 25 May 1994
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               Factor Function
The four oils obtained from plants collected in different localities of the same region gave quite different compositions as follows: A: thymol (10.5%), 1,8-cineole (9.96%), p-cymene (9.48%), carvacrol (5.28%); B: beta-caryophyllene (29.50%), carvacrol(20.59%); C: thymol (34.7%), beta-caryophyllene (12.74%), carvacrol (5.24%); D: beta-caryophyllene (56.48%), germacrene D (11.12%), carvacrol (4.85%). Since the identities of the plant materials were checked repeatedly, any misidentification is ruled out. Except for A and C, all the other materials showed beta-caryophyllene as the major constituent. Carvacrol (20.59%) was present in good amount in the oil of B. In A, however, high percentages of 1,8-cineole (10%) and p-cymene (9.5%) were significant. This oil contained only a trace amount of beta-caryophyllene. Four isomeric caryophyllene alcohols were detected in the oil B. The results clearly indicate that the oil of T. striatus var. interruptus has no consistency and we can safely suggest that there are at least three chemotypes, namely thymol/1,8-cineole/p-cymene-type; thymol/beta-caryophyllene-type; and beta-caryophyllene-type, of this species.
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               Factor Part Location NP Content
 
Locality: Karadere, Kirklareli, Turkey
Aerial parts Kirklareli, Turkey
NP Content: <0.1 %
References
1 The Variation in the Essential Oil Composition of Tanacetum cadmeum (Boiss.) Heywood ssp. orientale Grierson from Turkey
2 Essential Oils of Thymus striatus Vahl var. interruptus Jalas from Turkey