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Basic information

  • Name:
  • Butanedioic acid,1-[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl]ester

  • Superlist Name:
  • Vitamin E succinate
  • CAS No.:
  • 4345-03-3

  • Molecular Structure:
  • Formula:
  • C33H54O5
  • Molecular Weight:
  • 530.79
  • Deleted CAS:
  • 120246-47-1|53532-12-0|55134-51-5
  • 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
  • Boiling Point:
  • 625.8 °C at 760 mmHg
  • Flash Point:
  • 187 °C
  • Solubility:
  • Insoluble in water

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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.

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