4,6,6,7,8,8-hexamethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran

• ChemBase ID: 169572
• Molecular Formular: C18H26O
• Molecular Mass: 258.39844
• Monoisotopic Mass: 258.19836545
• SMILES: c12c(cc3c(c1)COCC3C)C(C(C2(C)C)C)(C)C
• Canonical SMILES: CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C
• InChI: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
• InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6,6,7,8,8-hexamethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran
• IUPAC Traditional name: galaxolide
• Synonyms: 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran; 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane; Abbalide; Galaxolide; Galaxolide 50BB; Galaxolide 50IPM; Galaxolide White; Pearlide; HHCB; Galaxolide (Mixture of Diastereomers); Galaxolide (solution 50% in diethyl phthalate); 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene

Database IDs

• CAS Number: 1222-05-5
• MDL Number: MFCD00217003
• PubChem SID: 162263704
• PubChem CID: 91497

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.722721
• LogD (pH = 7.4): 4.722721
• Log P: 4.722721
• Molar Refractivity: 80.8835 cm^3
• Polarizability: 31.450024 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Colorless Oil

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - G189001

Galaxolide is a polycyclic musk (PCM) used as a fragrance ingredient in perfumes, soaps, cosmetics and detergents.

Toronto Research Chemicals - G189000

Galaxolide is a polycyclic musk (PCM) used as a fragrance ingredient in perfumes, soaps, cosmetics and detergents.

REFERENCES

• Mori, T. et al.: J. Health Sci., 52, 276 (2006)
• Chen Y. et al.: Flav. Frag. J., 21, 822 (2006)
• Mori, T. et al.: J. Health Sci., 52, 276 (2006)
• Chen Y., et al.: Flav. Frag. J., 21, 822 (2006)