"Attribute"
Melting point: 208 °C
Optical rotation D20 +17.6° (c = 0.875 in CHCl3)
Boiling point: 420.3±45.0 °C(Predicted)
Density: 1.156 g/cm ³
Refractive index: 17.6 ° (C=0.9, CHCl3)
Storage conditions: 2-8°C
Practically soluble in water, sparingly soluble in acetone, in ethyl acetate and in methanol
Acidity coefficient (pKa)15.09±0.70(Predicted)
Water solubility: 3mg/L at 20℃
Merck5916
InChIInChI = 1 / C20H32O2 / c1-12-10-14 (21) 12-10-14-5-15-16-6-7-18 (22) 19 (16, 2), 6-7-18 (15) 20 (12, 13) 3 / h12-13, 15 to 18, 22 H, 4-11 h2, 1 to 3 H 3/t12-,13-,15-,16-,17-,18-,19-,20-/s3
InChIKeyUXYRZJKIQKRJCF-TZPFWLJSSA-N
SMILES[C@@]12([H])CC[C@@]3([H])CC(=O)C[C@H](C)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O | | & 1-0, 4,10,12,14,18,20,23, r
CAS DataBase 1424-00-6(CAS DataBase Reference)
Security information
hazard symbols (GHS)GHS hazard pictogramsGHS hazard pictograms
GHS08,GHS09
Warning word: Danger
Hazard description: H351-H360FD-H362-H411
Precautions: P202-P260-P263-P264-P273-P308+P313
Dangerous goods labels: Xn,T,F
Hazard Category code: 20/21/22-38-19-11-61-60
Safety Instructions 22-24/25-36/37/39-45-53
WGK Germany3
RTECS number BV8063400
Customs code: 29372900
DEA Controlled SubstancesCSCN: 4000
CSA SCH: Schedule III
NARC: No
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