Simonellite

Simonellite

Names
IUPAC name 1,1-Dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene
Identifiers
CAS Number	27530-79-6
3D model (JSmol)	Interactive image
ChemSpider	153688
PubChem CID	176455
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,5-6,11H2,1-4H3 Key: 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,5-6,11H2,1-4H3 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).

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.^[1] It is named after its discoverer, Vittorio Simonelli (1860–1929), an Italian geologist. It forms colorless to white orthorhombic crystals.^[2] 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

References