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Vitamin E

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Name

Vitamin E

EINECS 215-798-8
CAS No. 1406-18-4 Density 0.93 g/cm3
Solubility Melting Point 3ºC
Formula Unspecified Boiling Point 210ºC at 0.1 mm Hg
Molecular Weight 490.61600 Flash Point 210.2ºC
Transport Information Appearance Tan, white granular powder
Safety Risk Codes
Molecular Structure Molecular Structure of 1406-18-4 (Vitamin E) Hazard Symbols
Synonyms

naturalvitaminee;RAC-ALPHA-TOCOPHEROL;VITAMIN E (DL-FORM);(TOCOPHEROL);TOCOPHEROL, ALPHA-DL-;5,7,8-TRIMETHYLTOCOL;(+/-)-ALPHA-TOCOPHEROL;(+/-)-ALPHA-TOCOFEROL

 

Vitamin E Specification

The Vitamin-E, with the CAS registry number 14638-18-7, has the systematic name of calcium bis[4-oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoate]. And the molecular formula of the chemical is C66H106CaO10.

The characteristics of Vitamin-E are as followings: (1)ACD/LogP: 11.88; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 72.83 ?2; (7)Flash Point: 187 °C; (8)Enthalpy of Vaporization: 97.39 kJ/mol; (9)Boiling Point: 625.8 °C at 760 mmHg; (10)Vapour Pressure: 1.58E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)CCC(=O)Oc2c(c1c(O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC1)c(c2C)C)C.[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=1/2C33H54O5.Ca/c2*1-22(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;/h2*22-24H,9-21H2,1-8H3,(H,34,35);/q;;+2/p-2/t2*23-,24-,33-;/m11./s1
(3)InChIKey: QEKBRBCVWVLFHH-ONGMHIRIBA
 

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