This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
195 °C at 8 mm Hg; 182-184 °C at 1.5 mm Hg (Distilling range at 760 mm Hg: 305-370 °C)
BP: 205 to 210 °C at 15 mm Hg
207.00 °C. @ 13.00 mm Hg
Density
0.8489 at 20 °C/4 °C
0.842-0.854 (20°)
Physical Description
Liquid; Liquid, Other Solid
Liquid (usually pale yellow); mp = 13-19 deg C; [Merck Index] Pale yellow liquid;
Liquid
Colourless to light yellow liquid; Fatty aroma with animal undertones
Appearance
Oily liquid, usually pale yellow
Clear, viscous liquid at room temperature
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.89
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.54
TPSA
20.23
LogP / Solubility
WLOGP
6.02
MLOGP
5.3
XLogP3
7.4
Consensus LogP
6.24
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 561 of 606 companies (only 7.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.