Vitamin E supplier | CasNO.1406-18-4

Name
Tocopherol
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
Hazard Symbols
Synonyms naturalvitaminee;RAC-ALPHA-TOCOPHEROL;VITAMIN E (DL-FORM);(TOCOPHEROL);TOCOPHEROL, ALPHA-DL-;5,7,8-TRIMETHYLTOCOL;(+/-)-ALPHA-TOCOPHEROL;(+/-)-ALPHA-TOCOFEROL
PSA 133.06000
LogP 5.26540

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

Product Name

Tocopherol

Vitamin E Specification

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