ADBI

Synonyms: "celestolide", "4-acetyl-6-tert-butyl-1,1-dimethylindan", "4-acetyl-6-butyl-1,1-dimethylindane", "4-acetyl-6-tert-butyl-1,1-dimethylindane", "4-acetyl-6-tert-butyl-1,1-dimethyl indan", "6-tert-butyl-1,1-dimethyl-4-indanyl methyl ketone"

Source: ADBI is a polycyclic musk commonly used as a fragrance ingredient in a wide variety of personal care and other everyday products, including cosmetics, cleaning agents, detergents, air fresheners, and perfumes.

Identifiers:

IUPAC Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
CAS Number: 13171-00-1
PubChem ID: 61585
InChiKey: IKTHMQYJOWTSJO-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C

Structural Properties:

Molecular Formula: C17H24O
Molecular Weight: 244.372

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 18

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Mori T, Iida M, Ishibashi H, Kohra S, Takao Y, Takemasa T, Arizono K. 2007. Hormonal activity of polycyclic musks evaluated by reporter gene assay. Environ Sci 14(4):195-202.

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2D-structure

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3D-structure

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