- 0 of 3 defined stereocentres
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C CopyCopied
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 CopyCopied
GVJHHUAWPYXKBD-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(±)-α-Tocopherol
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol [ACD/IUPAC Name]
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
2074-53-5 [RN]
218-197-9 [EINECS]
2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1- -benzopyran-6-ol
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-Benzopyran-6-ol
6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
DL-α-Tocopherol
10191-41-0 [RN]
113085-06-6 [RN]
2,5,7,8-tchroman-6-yl acetateetramethyl-2-(3-nitrooxypropylcarbamoyl)-
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol (vitamin E)
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-ol(Vitamin E)
233-466-0 [EINECS]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7, 8-tetramethyl-2- (4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]-(.+ -.)-
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7, 8-tetramethyl-2- (4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, radical ion(1+), (2R-(2R*(4R*,8R*)))-
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
5,7,8-trimethyltocol
59-02-9 [RN]
94012 [Beilstein]
Almefrol
Aquasol E
component of E and C-Level
Denamone
DL-5,7,8-Trimethyltocol; Vitamin E; DL-α-Tocopherol
Endo E
Eprolin S
Epsilan
Esorb
Etamican
Etavit
Evitaminum
ido-E
Ilitia [Wiki]
Lan-E
Med-E
Phytogermine
Profecundin
Spavit E
Syntopherol
Tocopherol α-
Tokopharm
Vascuals
Verrol
Vitayonon
VITEOLIN
α-TOCHOPHEROL
α-tocopherol [Wiki]
Spectrum_001195 [DBID]
258024_ALDRICH [DBID]
90669_FLUKA [DBID]
DivK1c_000533 [DBID]
KBio1_000533 [DBID]
KBio2_001675 [DBID]
KBio2_004243 [DBID]
KBio2_006811 [DBID]
KBio3_002315 [DBID]
KBioGR_002282 [DBID]
KBioSS_001675 [DBID]
nchembio874-comp9 [DBID]
NINDS_000533 [DBID]
NSC20812 [DBID]
NSC82623 [DBID]
SDCCGMLS-0066634.P001 [DBID]
SPBio_000644 [DBID]
Spectrum2_000722 [DBID]
Spectrum3_001338 [DBID]
Spectrum4_001771 [DBID]
T3251_SIGMA [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 12.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 478.87 (Adapted Stein & Brown method) Melting Pt (deg C): 202.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35E-008 (Modified Grain method) MP (exp database): 3 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.978e-007 log Kow used: 12.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8687e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.56E-006 atm-m3/mole Group Method: 7.92E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.569E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.18 (KowWin est) Log Kaw used: -3.837 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8250 Biowin2 (Non-Linear Model) : 0.6535 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7341 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9156 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1410 Biowin6 (MITI Non-Linear Model): 0.0473 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2580 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.8E-006 Pa (1.35E-008 mm Hg) Log Koa (Koawin est ): 16.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67 Octanol/air (Koa) model: 2.55E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.984 Mackay model : 0.993 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 230.4443 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.557 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.128E+007 Log Koc: 7.710 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 12.18 (estimated) Volatilization from Water: Henry LC: 7.92E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 17.46 hours Half-Life from Model Lake : 364.5 hours (15.19 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0048 1.11 1000 Water 0.746 4.32e+003 1000 Soil 39.6 8.64e+003 1000 Sediment 59.7 3.89e+004 0 Persistence Time: 1.07e+004 hr
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