EQUILIN

Melting point :238-240 °C(lit.)
alpha :D25 +308° (c = 2 in dioxane); D25 +325° (c = 2 in alc)
Boiling point :351.51°C (rough estimate)
Density :1.1096 (rough estimate)
refractive index :1.4800 (estimate)
Flash point :9℃
storage temp. :Refrigerator
solubility :Chloroform (Slightly), Dioxane (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated)
form :Solid
pka :pKa 10.26±0.04(H2O t=23±2) (Uncertain)
color :White to off-white
optical activity :+28725 (1% in dioxane)
Water Solubility :1.4mg/L(25 ºC)
Merck :13,3672
BRN :2624302
Major Application :pharmaceutical (small molecule)
InChI :1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChIKey :WKRLQDKEXYKHJB-HFTRVMKXSA-N
SMILES :C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O
EPA Substance Registry System :Equilin (474-86-2)

Symbol(GHS):
Signal word:	Warning
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H351 Suspected of causing cancer Carcinogenicity Category 2 Warning P201, P202, P281, P308+P313, P405,P501 H362 May cause harm to breast-fed children Reproductive toxicity, effects on or via lactation Additional category P201, P260, P263, P264, P270,P308+P313
Precautionary statements:	P202 Do not handle until all safety precautions have been read and understood. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P263 Avoid contact during pregnancy/while nursing. P264 Wash hands thoroughly after handling. P264 Wash skin thouroughly after handling. P270 Do not eat, drink or smoke when using this product. P308+P313 IF exposed or concerned: Get medical advice/attention.