Galaxolide

C₁₈H₂₆OCAS 1222-05-5258.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₆O
Molar mass: 258.40 g/mol
Exact mass: 258.1984 Da
Melting point: 57–58 °C
Boiling point: 129 °C (at 0.8 Torr)
Water solubility: 1.75 mg/L (25 °C)
logP: 4.53Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-212-00-7), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

1222-05-5

SMILES

CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C

InChIKey

ONKNPOPIGWHAQC-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Galaxolide 50
Pearlide
Abbalide
HHCB
Galaxolide 50BB
Galaxolide 50IPM
Galaxolide white
1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane
1,3,4,6,7,8-Hexahydro-4,6,6,8,8,8-hexamethylcyclopenta-2-benzopyran
4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene
Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-
1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran

Work with Galaxolide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone1506-02-1 Tonalide21145-77-7

Elsewhere

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