CAS RN: 10191-41-0

DL-α-Tocopherol

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7 package records7 with current stock2 grade groups
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Batchno.20250429 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20250928 1kg In stock Shanghai Inquiry
Batchno.20250721 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260319 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250901 5g In stock Shanghai, Tianjin Inquiry
  • Product code: ICTT0251
  • Purity/Analytical Methods: >96.0%(GC)
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10191-41-0 / 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

DL-ALPHA-TOCOPHEROL | Ephanyl | alpha-Tocopherol, DL-

Standard CAS: 10191-41-0 Multi CAS: Yes

Basic Information

CAS
10191-41-0
Multi CAS
Yes
Molecular Formula
C29H50O2
Molecular Weight
430.700000
Exact Mass
430.381081
SMILES
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChIKey
GVJHHUAWPYXKBD-UHFFFAOYSA-N
Synonyms
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

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