Simonellite: Difference between revisions

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Revision as of 06:47, 20 April 2011 editCheMoBot (talk \| contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (← Previous edit		Latest revision as of 19:52, 29 July 2023 edit undoFadesga (talk \| contribs)Autopatrolled, Extended confirmed users263,401 edits →References
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	{{chembox		{{chembox
			\| Verifiedfields = changed
⚫	\| verifiedrevid = ~~354053368~~
			\| Watchedfields = changed
		⚫	\| verifiedrevid = 424982171
	\| ImageFile = Simonellite.png		\| ImageFile = Simonellite.png
	\| ImageSize = 200px		\| ImageSize = 200px
	\| ~~IUPACName~~ = 1,1-Dimethyl-1,2,3,4-~~tetrahydro-7-isopropyl phenanthrene~~		\| PIN = 1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
	\| OtherNames =		\| OtherNames =
	\| Section1 = {{Chembox Identifiers		\|Section1={{Chembox Identifiers
			\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo = 27530-79-6
	\| ~~PubChem~~ =		\| CASNo = 27530-79-6
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| SMILES = CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
			\| UNII = C4NA2DCQ93
			\| PubChem = 176455
			\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
			\| ChemSpiderID = 153688
			\| InChI = 1/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3
			\| InChIKey = XZDCNNOTTUOTGE-UHFFFAOYAJ
			\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
			\| StdInChI = 1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3
			\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
			\| StdInChIKey = XZDCNNOTTUOTGE-UHFFFAOYSA-N
		⚫	\| SMILES = CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
	}}		}}
	\| Section2 = {{Chembox Properties		\|Section2={{Chembox Properties
	\| Formula = C<sub>19</sub>H<sub>24</sub>		\| Formula = C<sub>19</sub>H<sub>24</sub>
	\| MolarMass = 252.38 g/mol		\| MolarMass = 252.38 g/mol
	\| Appearance =		\| Appearance =
	\| Density =		\| Density =
	\| MeltingPt =		\| MeltingPt =
	\| BoilingPt =		\| BoilingPt =
	\| Solubility =		\| Solubility =
	}}		}}
	\| Section3 = {{Chembox Hazards		\|Section3={{Chembox Hazards
	\| MainHazards =		\| MainHazards =
	\| FlashPt =		\| FlashPt =
	\| ~~Autoignition~~ =		\| AutoignitionPt =
	}}		}}
	}}		}}
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	'''Simonellite''' (1,1-dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene) is a ] with a chemical formula C<sub>19</sub>H<sub>24</sub>. It is similar to ].		'''Simonellite''' (1,1-dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene) is a ] with a chemical formula C<sub>19</sub>H<sub>24</sub>. It is similar to ].

	Simonellite occurs naturally as an ~~organic~~ ] derived from ]s present in ] ]s.<ref> at Webmineral.com</ref> It is named after its discoverer, ], an Italian ]. It forms colorless to white ] crystals.<ref> at mindat.org</ref> It occurs in Fognano, ], Italy.		Simonellite occurs naturally as an ] derived from ]s present in ] ]s.<ref> at Webmineral.com</ref> It is named after its discoverer, ] (1860–1929), an Italian ]. It forms colorless to white ] crystals.<ref> at mindat.org</ref> It occurs in Fognano, ], Italy.

	~~Simoenllite~~, together with ], ] and ], is a ] of ]s, which makes it useful for ] analysis of rock ]s.		Simonellite, together with ], ] and ], is a ] of ]s, which makes it useful for ] analysis of rock ]s.{{cn\|date=January 2019}}

	==See also==		==See also==
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	==References==		==References==
			{{reflist}}
	<references/>

	]		]
	]		]
			]
	]		]
			]


	]
			{{mineral-stub}}

Latest revision as of 19:52, 29 July 2023

Simonellite
Names

Preferred IUPAC name 1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
Identifiers
CAS Number	27530-79-6
3D model (JSmol)	Interactive image
ChemSpider	153688
PubChem CID	176455
UNII	C4NA2DCQ93
CompTox Dashboard (EPA)	DTXSID00181949
InChI InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3Key: XZDCNNOTTUOTGE-UHFFFAOYSA-N InChI=1/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3Key: XZDCNNOTTUOTGE-UHFFFAOYAJ
SMILES CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
Properties
Chemical formula	C₁₉H₂₄
Molar mass	252.38 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

Simonellite (1,1-dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene) is a polycyclic aromatic hydrocarbon with a chemical formula C₁₉H₂₄. It is similar to retene.

Simonellite occurs naturally as an organic mineral derived from diterpenes present in conifer resins. It is named after its discoverer, Vittorio Simonelli (1860–1929), an Italian geologist. It forms colorless to white orthorhombic crystals. It occurs in Fognano, Tuscany, Italy.

Simonellite, together with cadalene, retene and ip-iHMN, is a biomarker of higher plants, which makes it useful for paleobotanic analysis of rock sediments.

References

Simonellite at Webmineral.com
Simonellite at mindat.org

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Latest revision as of 19:52, 29 July 2023

See also

References