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Basic Information
CAS No.: 59-02-9
Name: Vitamin E
Article Data: 192
Molecular Structure:
Molecular Structure of 59-02-9 (Vitamin E)
Formula: C29H50O2
Molecular Weight: 430.715
Synonyms: (+)-a-Tocopherol;(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol;(2R,4'R,8'R)-a-Tocopherol;(R,R,R)-a-Tocopherol;(all-R)-a-Tocopherol;5,7,8-Trimethyltocol;Covitol F 1000;Covitol F 1300;Covitol IK 00069;Denamone;Endo E;Eprolin;Eprolin S;Epsilan;Esorb;Etavit;NSC 20812;NatAlc;Natur-E micelle;Phytogermin;Spavit E;Syntopherol;Tenox GT 1;Tokopharm;Vascuals;Verrol;Viteolin;alpha-Tocopherol;a-Vitamin E;Vitamin E;
EINECS: 200-412-2
Density: 0.93 g/cm3
Melting Point: 2.5-3.5 °C
Boiling Point: 485.856 °C at 760 mmHg
Flash Point: 210.229 °C
Solubility: insoluble in water
Appearance: light yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 23-24/25-37/39-26
PSA: 29.46000
LogP: 8.84020
Synthetic route
titanium montmorillonite

titanium montmorillonite

505-32-8

isophytol

700-13-0

Trimethylhydroquinone

59-02-9

Tocopherol

Conditions
ConditionsYield
In octane100%
32466-45-8

(2R,4'R,8'R)-α-tocopheryl methyl ether

59-02-9

Tocopherol

Conditions
ConditionsYield
Stage #1: (2R,4'R,8'R)-α-tocopheryl methyl ether With triethylsilane; tris(pentafluorophenyl)borate at 20℃;
Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 0℃;
100%
With aluminum (III) chloride; boron dimethyl-trifluoro sulphide In dichloromethane; acetonitrile at 20℃;84%
With aluminum (III) chloride; boron trifluoride dimethyl sulfide In dichloromethane; acetonitrile at 0 - 20℃; for 6h;78%
505-32-8

isophytol

700-13-0

Trimethylhydroquinone

59-02-9

Tocopherol

Conditions
ConditionsYield
With hydrogenchloride; Zinc chloride In tetrachloromethane99.1%
With hydrogenchloride; sodium dithionite; Zinc chloride In toluene99.8%
With hydrogenchloride; zinc dibromide; zinc98.6%
110-19-0

2-methylpropyl acetate

505-32-8

isophytol

700-13-0

Trimethylhydroquinone

59-02-9

Tocopherol

Conditions
ConditionsYield
With hydrogenchloride; Zinc chloride In water; toluene99.6%
With hydrogenchloride; Zinc chloride In water; toluene98.6%
505-32-8

isophytol

700-13-0

Trimethylhydroquinone

105-58-8

Diethyl carbonate

59-02-9

Tocopherol

Conditions
ConditionsYield
With hydrogenchloride; sodium chloride; Zinc chloride In water; toluene99.2%
With hydrogen bromide; zinc dibromide In water99.1%
With hydrogenchloride; Zinc chloride In water; toluene98.9%
505-32-8

isophytol

700-13-0

Trimethylhydroquinone

78-93-3

butanone

59-02-9

Tocopherol

Conditions
ConditionsYield
With sodium hydroxide; sodium chloride; scandium tris(trifluoromethanesulfonate) In ethyl acetate; toluene99%
505-32-8

isophytol

700-13-0

Trimethylhydroquinone

71-36-3

butan-1-ol

59-02-9

Tocopherol

Conditions
ConditionsYield
With hydrogenchloride; Zinc chloride In hexane; water; toluene98.1%
With hydrogenchloride; Zinc chloride In hexane; water; toluene98.1%
With hydrogenchloride; Zinc chloride In hexane; water; toluene95.9%
With hydrogenchloride; Zinc chloride In hexane; water; toluene95.9%
700-13-0

Trimethylhydroquinone

isophytol

59-02-9

Tocopherol

Conditions
ConditionsYield
aluminum ion-exchanged montmorilonites In octane for 3h; Product distribution; Heating; var. metal ion-exchanged montmorilonites, var. solvents, var. reaction time;98%

scandium fluorosulfonate

505-32-8

isophytol

700-13-0

Trimethylhydroquinone

59-02-9

Tocopherol

Conditions
ConditionsYield
With sodium chloride In ethyl acetate; toluene98%
14745-36-9

2-((7R,11R)-3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol

59-02-9

Tocopherol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene at 80℃; for 1.25h;95%
With toluene-4-sulfonic acid In benzene Heating;
With toluene-4-sulfonic acid In toluene at 45℃;
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  • Casno:

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    59-02-9

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    SAFETY DATA SHEETS According to the UN GHS revision 10 Version: 1.0 Creation Date: July 15, 2019 Revision Date: July 15, 2019 SECTION 1: Identification 1.1GHS Product identifier Product name α-tocopherol 1.2Oth

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  • CAS59-02-9  Vitamin E

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    CAS59-02-9 Vitamin E

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  • alpha-Tocopherol

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    alpha-Tocopherol

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  • D-ALPHA-TOCOPHEROL

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    Vitamin E Oil

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Chemistry


IUPAC Name: (2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol 
Empirical Formula: C29H50O2
Molecular Weight: 430.7061
EINECS: 200-412-2
Classification Code: Antioxidants; Growth Substances; Micronutrients; Mutation data; Protective Agents; Reproductive Effect; Vitamins
Melting Point: 2.5-3.5 °C
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
storage temp.: 2-8 °C
alpha: 24 °(c=2, in isooctane 25 °C)
Water Solubility:  INSOLUBLE
Appearance: Clear yellow oil
Vapour Pressure of alpha-Tocopherol (CAS NO.59-02-9): 4.59E-10 mmHg at 25 °C

Uses

 alpha-Tocopherol (CAS NO.59-02-9) is the most important lipid-soluble antioxidant and that it protects cell membranes from oxidation by reacting with lipid radicals produced in the lipid peroxidation chain reaction. alpha-Tocopherol is a nucleophile that may react with electrophilic mutagens.

Toxicity Data With Reference

1.    

dnd-rat-ivn 27 nmol/kg

    EXPEAM    Experientia. 31 (1975),1023.
2.    

dni-rat:lvr 100 µmol/L

    CNREA8    Cancer Research. 45 (1985),337.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: FlammableF
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-37/39-26 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1
F: 8-10-23
RTECS:  DJ2900000

Specification

  alpha-Tocopherol (CAS NO.59-02-9), its Synonyms are 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- ; 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-,[2R-[2R*(4R*,8R*)]]- ; (+)-a-Tocopherol ; (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol .