AG0034T0

10191-41-0 | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

AG0034T0

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CAS Number	10191-41-0
Catalog Number	AG0034T0(AGN-PC-0048TX)
Chemical Name	2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
IUPAC Name	2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
InChI	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
InChI Key	GVJHHUAWPYXKBD-UHFFFAOYSA-N
MDL Number	MFCD00072045
Molecular Formula	C29H50O2
Molecular Weight	430.7061
SMILES	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
Synonyms	Vitamin E, VITAMIN E, DL-ALPHA-TOCOPHEROL, alpha-tochopherol, 10191-41-0, Ephanyl, dl-|A-tocopherol, CHEMBL49563, GVJHHUAWPYXKBD-UHFFFAOYSA-N, .alpha.-Tocopherol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, d-.alpha.-Tocopherol, (+-)-alpha-Tocopherol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol, Evitaminum, Profecundin, Syntopherol, Waynecomycin, Almefrol, Denamone, Emipherol, Epsilan, Etamican, Tokopharm, Vascuals, Vitayonon, Viteolin, Etavit, Ilitia, Verrol, Esorb, Evion, alpha Tocopherol, CCRIS 5853, Vitaplex E, Eprolin S, Spavit E, ido-E, Endo E, Vita E, EINECS 233-466-0, Lan-E, Med-E, Antisterility vitamin, Vi-E, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol, BRN 0094012, Tocopheroxy radical, Tocopheroxyl radical, alpha-Tocopherol, DL-, all-rac-alpha-Tocopherol, SR-05000001813, 1406-18-4, DL-Tocopherol, MFCD00006848, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, .alpha.-Tokoferol, .alpha. Tocopherol, 5,8-Trimethyltocol, Tocopherol (JP17), dl-.alpha.-Tocopherol, Spectrum_001195, AC1L1CYF, AC1Q7AUW, Spectrum2_000722, Spectrum3_001338, Spectrum4_001771, Spectrum5_000381, EC 233-466-0, SCHEMBL22303, BSPBio_003095, KBioGR_002282, KBioSS_001675, SPECTRUM310039, (all-R)-.alpha.-Tocopherol, 113085-06-6, 5-17-04-00168 (Beilstein Handbook Reference), DivK1c_000533, SPBio_000644, alpha-Tocopherol, >=95.5%, DTXSID8021355, SCHEMBL14315133, (.+-.)-Med-E, (.+/-.)-.alpha.-Tocopherol, CHEBI:93909, HMS501K15, HSDB 8261, KBio1_000533, KBio2_001675, KBio2_004243, KBio2_006811, KBio3_002315, KS-00000VLH, (2R,8'R)-.alpha.-Tocopherol, DL-alpha-Tocopherol (Vitamin E), NINDS_000533, HMS1923I03, HMS2091C11, Pharmakon1600-00310039, NSC20812, NSC82623, BBL027614, BDBM50436220, BG0051, CCG-40162, NSC-20812, NSC-82623, NSC755839, SBB057399, STL372809, AKOS015960364, API0016464, MCULE-4241435740, NSC-755839, SDCCGMLS-0066634.P001, VIT0000030, IDI1_000533, NCGC00095254-01, NCGC00095254-02, NCGC00095254-03, NCGC00095254-05, NCGC00095254-06, AC-10544, AN-18278, AN-19826, AN-23613, SBI-0051261.P003, AB0211519, (+/-)-alpha-Tocopherol, analytical standard, D02332, AB00051898_02, SR-05000001813-1, SR-05000001813-2, (+/-)-alpha-Tocopherol, synthetic, >=96% (HPLC), (+/-)-alpha-Tocopherol, tested according to Ph.Eur., BRD-A82892199-001-01-7, (+/-)-alpha-Tocopherol, SAJ special grade, >=96.0%, F0001-2420, 7A4513C3-131C-41D4-B6A0-7ED994AC2947, alpha-Tocopherol, British Pharmacopoeia (BP) Reference Standard, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol #, alpha-Tocopherol, European Pharmacopoeia (EP) Reference Standard, Alpha Tocopherol, United States Pharmacopeia (USP) Reference Standard, Alpha Tocopherol, Pharmaceutical Secondary Standard; Certified Reference Material, (+/-)-alpha-Tocopherol (Vitamin E) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, [It may consist of d- or dl-.alpha.-tocopherol (C29H50O2), d- or dl-.alpha.-tocopheryl acid succinate (C33H54O5), mixed tocopherols concentrate, or d-.alpha.-tocopheryl acetate concentrate.], 16826-11-2, 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*)))-, 2H-1-Benzopyran-6-ol,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]-(.+-.)-, 2H-1-Benzopyran-6-ol,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-, vitamine, Phytogermine, Ephynal, Eprolin, alpha-Tocopherol, |A tocopherol, Aquasol E, TOCOPHEROL, D-alpha-Tocopherol, Irganox E-201, component of Estopherol, 5,7,8-Trimethyltocol, UNII-7QWA1RIO01, component of E and C-Level, 7QWA1RIO01, CID2116, C29H50O2, AR-1I6819, C29-H50-O2, NCGC00095254-04, T0251, 59-02-9, 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol, 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-benzopyran-6-ol, 2074-53-5, (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol, 1963-03-7, 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-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-, 3, 4- dihydro- 2, 5, 7, 8- tetramethyl- 2- (4, 8, 12- trimethyltridecyl)- 2H- benzopyran- 6- ol,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	430.381g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	430.717g/mol
Monoisotopic Mass	430.381g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	10.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number