HHCB

Synonyms: galaxolide, "abbalide", "pearlide", "galaxolide white"

Source: HHCB is used to make a fragrance long lasting and have a positive technical effect on its balance bringing the initial and residual smell into harmony.

Identifiers:

IUPAC Name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
CAS Number: 1222-05-5
PubChem ID: 91497
InChiKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N
Canonical SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C

Structural Properties:

Molecular Formula: C₁₈H₂₆O
Molecular Weight: 258.4

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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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 Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

External Links

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2D-structure

3D-structure