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2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-

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2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-

EINECS 204-299-0
CAS No. 119-13-1 Density 0.935 g/cm3
PSA 29.46000 LogP 8.22340
Solubility N/A Melting Point <25℃
Formula C27H46O2 Boiling Point 504.3 °C at 760 mmHg
Molecular Weight 402.661 Flash Point 200.1 °C
Transport Information N/A Appearance clear yellow to brownish viscous liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 119-13-1 (2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-) Hazard Symbols N/A
Synonyms

2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-;6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)- (8CI);delta-Tocopherol;(R,R,R)-d-Tocopherol;8-Methyltocol;E 309;E-Mix D;78656-14-1;

Article Data 14

2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- Specification

The 2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- is an organic compound with the formula C27H46O2. The IUPAC name of this chemical is (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol. With the CAS registry number 119-13-1, it is also named as . The product's categories are Vitamin E; Vitamin ELipids; Nutrition Research; Prenols; Vitamins. Besides, it is clear yellow to brownish viscous liquid, which should be stored in a closed cool and dry place.

Physical properties about 2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- are: (1)ACD/LogP: 10.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.98; (4)ACD/LogD (pH 7.4): 10.98; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 125.41 cm3; (15)Molar Volume: 430.2 cm3; (16)Polarizability: 49.71×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.935 g/cm3; (19)Flash Point: 200.1 °C; (20)Enthalpy of Vaporization: 80.31 kJ/mol; (21)Boiling Point: 504.3 °C at 760 mmHg; (22)Vapour Pressure: 8.54E-11 mmHg at 25°C.

Uses of 2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: it can be used to produce 5-(d-tocopheroxy)-d-tocopherol and 5-[5-(d-tocopheroxy)-d-tocopheroxy]-d-tocopherol at temperature of 37 °C. It will need reagent air and solvent benzene with reaction time of 45 min. The yield is about 77.2%.


You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc(c1O[C@](CCc1c2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
(2)InChI: InChI=1/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
(3)InChIKey: GZIFEOYASATJEH-VHFRWLAGBS
(4)Std. InChI: InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
(5)Std. InChIKey: GZIFEOYASATJEH-VHFRWLAGSA-N

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