"Attribute"
Melting point: 168-170 °C(lit.
Boiling point: 407.89°C (rough estimate)
Density 1.0998 (rough estimate)
Vapor pressure: 0Pa at 20℃
Refractive index 1.5192 (estimate)
Storage conditions: Refrigerator
Solubility: Chloroform, DMSO (Slightly), Methanol (Slightly)
Morphology Solid
Colour: White to Off-White
optical activity [α]20/D +2.4°, c = 2 in ethanol
Water solubility 11.5mg/L(temperature not stated)
InChIInChI = 1 / C21H30O3 / c1-13 (22) : 24-15-8-10-14 (12 to 15) 20 (2) 4-5-16-4-5-16-19 (23) 21 (17, 3) the 11-9-18 20 / h4 (16), 15-18 h, 5-12 h2, 1-3 h3 /t15-,16-,17-,18-,20-,21-/s3
InChIKeyNCMZQTLCXHGLOK-KJBVPOJVSA-N
@ SMILESC [C] 12 CC @ H [C] (OC (= O) C) CC1 = CC @ @ [C] 1 ([H]) @ [C] 3 [H]) (CCC (= O) @ @ [C] 3 (C) CC @ [C] 21 [H] | & 1:1, 4,13,15,21,25, r |
Logp 5.1at 20℃
CAS Database 853-23-6
Security information
hazard pictograms (GHS
GHS08
Warning word: Danger
Hazard Description: H360
Safety Instructions 22-24/25
WGK Germany3
RTECS number BV8396810