mono-(1S)-(+)-menthyl-phthalate

Synonyms: "(+)-mono-(1S)-menthyl phthalate"

Source: mono-(1S)-(+)-menthyl-phthalate belongs to the metabolites of phtalates, which are industrial plasticizers used to make plastics more flexible and harder to break.

Identifiers:

IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CAS Number: 53623-42-0
PubChem ID: 10953367
InChiKey: LJFJPDHXAWVDSA-ZENOOKHLSA-N
Canonical SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C

Structural Properties:

Molecular Formula: C₁₈H₂₄O₄
Molecular Weight: 304.381

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 22

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Lampen A, Zimnik S, Nau H. 2003. Teratogenic phthalate esters and metabolites activate the nuclear receptors PPARs and induce differentiation of F9 cells. Toxicol Appl Pharmacol 188(1):14-23, DOI: 10.1016/S0041-008X(03)00014-0.