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: 244,3719

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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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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


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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Keywords


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