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| CAS No.: | 4345-03-3 |
|---|---|
| Name: | Vitamin E succinate |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C33H54O5 |
| Molecular Weight: | 530.789 |
| Synonyms: | Butanedioicacid, mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl]ester (9CI);Butanedioic acid,mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl]ester, [2R-[2R*(4R*,8R*)]]-;Succinic acid, mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl]ester, (+)- (8CI);α-Tocopherol Acid Succinate;6-Chromanol,2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)-(8CI);(+)-α-Tocopheryl succinate;CV 104;Covitol 1210;NSC 173849;Tocopherol succinate;Vitamin E acid succinate;Vitamin E d-a-tocosuccinate;Vitamin E hemisuccinate;Vitamin E succinate;α-Tocopheryl Succinate;VES;alpha-Tocopherol acid succinate, D-; |
| EINECS: | 224-403-8 |
| Density: | 1.002 g/cm3 |
| Melting Point: | ~76°C(lit.) |
| Boiling Point: | 625.8 °C at 760 mmHg |
| Flash Point: | 187 °C |
| Solubility: | Insoluble in water |
| Appearance: | White powder. |
| PSA: | 72.83000 |
| LogP: | 8.90480 |
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| Conditions | Yield |
|---|---|
| With pyridine; dmap at 25℃; | 94% |
| With sodium hydroxide In butanone at 40℃; for 6h; Reagent/catalyst; Temperature; Solvent; | 93.6% |
| dmap; triethylamine In dichloromethane at 25℃; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: succinic acid With dicyclohexyl-carbodiimide; dmap In dichloromethane for 0.166667 - 0.25h; Ultrasonication; Stage #2: Tocopherol In dichloromethane at 25℃; | 73% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: durch Chlormethylierung und Reduktion 2: pyridine View Scheme |
- 16698-35-4
5,8-dimethyltocol
- 4345-03-3
vitamin E succinate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: durch Chlormethylierung und Reduktion 2: pyridine View Scheme |
- 148759-41-5
1-azido-5-aminopentane
- 4345-03-3
vitamin E succinate
| Conditions | Yield |
|---|---|
| With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; | 100% |
- 86770-67-4
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol
- 4345-03-3
vitamin E succinate
| Conditions | Yield |
|---|---|
| With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; | 99% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; ethyl acetate at 20 - 25℃; | 98% |
- 32086-89-8
8-(1-hydroxyethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- 4345-03-3
vitamin E succinate
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; | 96% |
- 371935-74-9
3-(4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
- 4345-03-3
vitamin E succinate
- 1514918-69-4
α-tocopheryl hemisuccinate
| Conditions | Yield |
|---|---|
| With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-(dimethylamino)pyridinium tosylate In 1-methyl-pyrrolidin-2-one; dichloromethane at 20℃; for 19h; | 95% |
- 4345-03-3
vitamin E succinate
| Conditions | Yield |
|---|---|
| With calcium hydroxide In methanol at 58 - 60℃; for 2h; Product distribution / selectivity; | 94.73% |
| With calcium oxide In methanol at 28 - 60℃; for 2h; Product distribution / selectivity; | 88.18% |
| With calcium carbonate In methanol at 58 - 60℃; for 2h; Product distribution / selectivity; | 76.36% |
| With calcium carbonate In Carbon dioxide at 120℃; under 228015 Torr; for 1h; Reaction medium: CO2 as a supercritical fluid; |
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Specification
The Vitamin E succinate, with the CAS registry number 4345-03-3 and EINECS registry number 224-403-8, has the systematic name of 4-oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid. And the molecular formula of this chemical is C33H54O5.This white powder belongs to the following product categories: Vitamins and derivatives; Vitamin Ingredients.
The Vitamin E succinate is an ester, and insoluble in water. Reacts with acids, it will liberate heat along with alcohols and acids. And it should be stored at 2-8°C. What's more, it is s kind of food additive, and used as nutritional supplementfor various of food.
The physical properties of Vitamin E succinate are as following: (1)ACD/LogP: 11.88; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.7; (4)ACD/LogD (pH 7.4): 8.91; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 673096.5; (7)ACD/KOC (pH 5.5): 4596779.5; (8)ACD/KOC (pH 7.4): 74034.62; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 155.35 cm3; (15)Molar Volume: 529.6 cm3; (16)Polarizability: 61.58×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.002 g/cm3; (19)Flash Point: 187 °C; (20)Enthalpy of Vaporization: 97.39 kJ/mol; (21)Boiling Point: 625.8 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)Oc2c(c(c1O[C@](CCc1c2C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C
(2)InChI: InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
(3)InChIKey: IELOKBJPULMYRW-NJQVLOCABQ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 7gm/kg (7000mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 273, 1977. |