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Cas Database |
| Name |
d-a-Tocopherol |
EINECS | 200-412-2 |
| CAS No. | 59-02-9 | Density | 0.93 g/cm3 |
| PSA | 29.46000 | LogP | 8.84020 |
| Solubility | insoluble in water | Melting Point |
2.5-3.5 °C |
| Formula | C29H50O2 | Boiling Point | 485.856 °C at 760 mmHg |
| Molecular Weight | 430.715 | Flash Point | 210.229 °C |
| Transport Information | N/A | Appearance | light yellow liquid |
| Safety | 23-24/25-37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 192 |
d-a-Tocopherol Synthetic route
| Conditions | Yield |
|---|---|
| In octane | 100% |
- 32466-45-8
(2R,4'R,8'R)-α-tocopheryl methyl ether
- 59-02-9
Tocopherol
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; Zinc chloride In tetrachloromethane | 99.1% |
| With hydrogenchloride; sodium dithionite; Zinc chloride In toluene | 99.8% |
| With hydrogenchloride; zinc dibromide; zinc | 98.6% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; Zinc chloride In water; toluene | 99.6% |
| With hydrogenchloride; Zinc chloride In water; toluene | 98.6% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium chloride; Zinc chloride In water; toluene | 99.2% |
| With hydrogen bromide; zinc dibromide In water | 99.1% |
| With hydrogenchloride; Zinc chloride In water; toluene | 98.9% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium chloride; scandium tris(trifluoromethanesulfonate) In ethyl acetate; toluene | 99% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; Zinc chloride In hexane; water; toluene | 98.1% |
| With hydrogenchloride; Zinc chloride In hexane; water; toluene | 98.1% |
| With hydrogenchloride; Zinc chloride In hexane; water; toluene | 95.9% |
| With hydrogenchloride; Zinc chloride In hexane; water; toluene | 95.9% |
| Conditions | Yield |
|---|---|
| aluminum ion-exchanged montmorilonites In octane for 3h; Product distribution; Heating; var. metal ion-exchanged montmorilonites, var. solvents, var. reaction time; | 98% |
| Conditions | Yield |
|---|---|
| With sodium chloride In ethyl acetate; toluene | 98% |
- 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 | Yield |
|---|---|
| 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℃; |
d-a-Tocopherol Chemical Properties
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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
d-a-Tocopherol 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.
d-a-Tocopherol 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. |
d-a-Tocopherol Consensus Reports
Reported in EPA TSCA Inventory.
d-a-Tocopherol Safety Profile
Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
F
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
d-a-Tocopherol 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 .
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