Chemistry:Simonellite

Simonellite

Names
Preferred IUPAC name 1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
Identifiers
CAS Number	27530-79-6 Y
3D model (JSmol)	Interactive image
ChemSpider	153688 N
PubChem CID	176455
UNII	C4NA2DCQ93 Y
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,5-6,11H2,1-4H3 N Key: XZDCNNOTTUOTGE-UHFFFAOYSA-N 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,5-6,11H2,1-4H3 Key: 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 [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Tracking categories (test):

• SizeSet

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.

See also

• Fichtelite
• Retene