104561-41-3

Name 4-[2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)-benzoicacid
CAS 104561-41-3
Molecular Formula C23H24O2
MDL Number MFCD18086921
Molecular Weight 332.44
MOL File 104561-41-3.mol
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Chemical Properties

Melting point  254-256 °C(Solv: acetonitrile (75-05-8))
Boiling point  484.7±45.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
storage temp.  Store at +4°C
solubility  DMF: 5 mg/ml; DMSO: 5 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 1 mg/ml
form  White to off-white lyophilised amorphous solid.
pka 4.10±0.10(Predicted)
color  Off-white to light yellow
InChI 1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
InChIKey OQVLOWLEEHYBJH-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)C#Cc2cc3c(cc2)C(CCC3(C)C)(C)C

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361d
Precautionary statements  P201-P202-P280-P308+P313-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Repr. 2

Hazard Information

Spectrum Detail

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