Simonellite

Simonellite

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Names
IUPAC name 1,1-Dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene
Identifiers
CAS Number	27530-79-6 Y
ChemSpider	153688 N
Jmol 3D model	Interactive image
PubChem	176455
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
Vapor pressure	{{{value}}}
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

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