DL-ALPHA-TOCOPHEROL
Ephanyl
alpha-Tocopherol, DL-
Vitamin E DL-alpha
dl-.alpha.-Tocopherol
Physical Properties
Melting Point
2.5-3.5 °C
Boiling Point
BP: 200-220 °C at 0.1 mmHg
Density
0.950 at 25 °C/4 °C
Physical Description
Liquid
Slightly yellow to amber, nearly odourless, clear, viscous oil which oxidises and darkens on exposure to air or light
Pale yellow liquid; Darkened gradually by light; [Merck Index]
Appearance
Slightly viscous, pale yellow oil
State
Liquid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
134.39
TPSA
29.46
LogP / Solubility
WLOGP
8.84
MLOGP
7.81
XLogP3
10.7
Consensus LogP
9.12
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (74.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501