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Basic Information
CAS No.: 10191-41-0
Name: Vitamin E
Article Data: 13
Molecular Structure:
Molecular Structure of 10191-41-0 (Vitamin E)
Formula: C29H50O2
Molecular Weight: 430.715
Synonyms: 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-;6-Chromanol,2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- (8CI);3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol;3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol;Elementol B;ElementolBasic;Elementol R;Ephanyl;Rac-a-Tocopherol;all-rac-a-Tocopherol;
EINECS: 233-466-0
Density: 0.93 g/cm3
Melting Point: 2-4 °C
Boiling Point: 485.9 °C at 760 mmHg
Flash Point: 210.2 °C
Solubility: Miscible with chloroform, vegetable oils, ether, acetone and alcohol. Immiscible with water.
Appearance: low yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 29.46000
LogP: 8.84020
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10191-41-0

(+/-)-α-tocopherol

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether for 4h;60%

5-nitromethyl-γ-tocopherol acetate

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Conditions
ConditionsYield
With lithium aluminium tetrahydride; aluminium trichloride Reduction;17%
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(RS)-isophytol

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(S)-2,3,4,6,7-Pentamethyl-2-((4S,8S)-4,8,12-trimethyl-tridecyl)-2,3-dihydro-benzofuran-5-ol

Conditions
ConditionsYield
With 1-(bis-CF3SO2-methyl)-2,3,4,5,6-pentafluoro-benzene In carbon dioxide at 100℃; under 187515 Torr; for 16h; Product distribution; Further Variations:; Pressures; Catalysts; Solvents;A 79 % Chromat.
B 3.4 % Chromat.
...Expand

DL-α-tocopherol acetate

10191-41-0

(+/-)-α-tocopherol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
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View Scheme
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α-tocopherolquinone

10191-41-0

(+/-)-α-tocopherol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 75 percent / silica gel / diethyl ether / 5 h / 0 - 5 °C
2: 60 percent / BF3*Et2O / diethyl ether / 4 h
View Scheme

α-tocopheroxyl radical

10191-41-0

(+/-)-α-tocopherol

Conditions
ConditionsYield
With (E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol; sodium dodecyl-sulfate at 20℃; pH=7.4; Kinetics; Reagent/catalyst; aq. buffer; Micellar solution;
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Trimethylhydroquinone

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10191-41-0

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Conditions
ConditionsYield
Stage #1: Trimethylhydroquinone With acid treated bentonite at 120 - 125℃; for 0.25h; Friedel-Crafts Alkylation;
Stage #2: isophytol at 120 - 125℃; for 10h; Catalytic behavior; Reagent/catalyst; Temperature; Friedel-Crafts Alkylation;
Stage #1: Trimethylhydroquinone With acid treated bentonite at 120 - 125℃; for 0.25h; Friedel-Crafts Alkylation;
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Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: palladium 10% on activated carbon; hydrogen / 23 h / 64 °C / 6000.6 Torr
2.1: acid treated bentonite / 0.25 h / 120 - 125 °C
2.2: 10 h / 120 - 125 °C
View Scheme
10191-41-0

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epichlorohydrin

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Chemistry

Molecular Structure of 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- (CAS NO.10191-41-0):

IUPAC Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Empirical Formula: C29H50O2
Molecular Weight: 430.7061
Index of Refraction: 1.495
Molar Refractivity: 135.06 cm3
Molar Volume: 462.7 cm3
Surface Tension: 34.6 dyne/cm
Density: 0.93 g/cm3
Flash Point: 210.2 °C
Enthalpy of Vaporization: 78 kJ/mol
Boiling Point: 485.9 °C at 760 mmHg
Vapour Pressure: 4.59E-10 mmHg at 25°C
Storage temp: 2-8°C
Sensitive: Light Sensitive
Melting Point: 2-4°C
EPA Substance Registry System: 2H-1-Benzopyran- 6-ol, 3,4-dihydro-2,5,7,8-tetramethyl- 2-(4,8,12-trimethyltridecyl)- (10191-41-0)
InChI: InChI=1/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/t21-,22-,29-/m1/s1
Smiles: c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c(c(O)c(c2C)C)C
Product Categories of 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- (CAS NO.10191-41-0): Food and Feed Additive; Organics; Vitamin Ingredients

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: GA8746000
F: 8-10-23

Specification

 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- , with CAS number of 10191-41-0, can be called All-rac-alpha-tocopherol ; (+/-)-alpha-tocopherol ; (+/-)-alpha-tocoferol ; alpha-tocopherolum ; alpha-dl-tocopherol ; 5,7,8-trimethyltocol ; a-tocopherol .