| Identification | Back Directory | [Name]
hexaprofen | [CAS]
24645-20-3 | [Synonyms]
UR-336
BTS-13622
hexaprofen
2-(p-Cyclohexylphenyl)propionic acid
4-Cyclohexyl-α-methylbenzeneacetic acid
Benzeneacetic acid, 4-cyclohexyl-α-methyl- | [EINECS(EC#)]
246-379-8 | [Molecular Formula]
C15H20O2 | [MOL File]
24645-20-3.mol | [Molecular Weight]
232.32 |
| Chemical Properties | Back Directory | [Melting point ]
109.8-111.3 °C | [Boiling point ]
377.1±11.0 °C(Predicted) | [density ]
1.078±0.06 g/cm3(Predicted) | [form ]
solid | [pka]
4.43±0.10(Predicted) | [InChI]
1S/C15H20O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,16,17) | [InChIKey]
YTUMWOBUZOYYJQ-UHFFFAOYSA-N | [SMILES]
OC(C(C1=CC=C(C2CCCCC2)C=C1)C)=O |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1 | [Toxicity]
rat,LD50,oral,282mg/kg (282mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1714, 1978. |
|
|