Compound: alpha-Tocopherol acetate
SMILES: O=C(Oc1c(c2c(O[C@@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)CC2)c(c1C)C)C)C
InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N
Synonyms: alpha-Tocopherol acetate, Alfacol, Ecofrol, Contopheron, Tofaxin, Econ, Ephynal acetate, Evipherol, Tocopherex, Tocophrin, Erevit, Gevex, Tocopherol acetate, Combinal E, Tokoferol acetate, Endo E Dompe, Juvela, Copherol 1250, Covitol 1100, Covitol 1360, Vitamin Ealpha acetate, Tinoderm E, Fertilvit, Simmyungsaengmosu, (2R,4'R,8'R)-alpha-Tocopheryl acetate, 9E8X80D2L0, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-, Tocopheryl acetate,alpha, E-tabs, ((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl) acetate, ((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl) acetate, RefChem:5532, Vitamin E (alpha tocopherol acetate), 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl acetate, 58-95-7, Vitamin E acetate, D-alpha-tocopherol acetate, D-ALPHA-TOCOPHERYL ACETATE, (+)-alpha-Tocopherol acetate, DL-alpha-Tocopheryl acetate, alpha-Tocopheryl acetate, Vitamin E acetate, d-, Epsilan-M, E-Toplex, E-Ferol, Ephynal, Spondyvit, MFCD00072052, D-|A-Tocopherol acetate, DL-alpha-Tocopherylacetate, (+)-alpha-Tocopheryl acetate, A7E6112E4N, D-alpha tocoferil acetate, D-alfa-Tocopherol Acetate, (R,R,R)-alpha-Tocopheryl acetate, d-Vitamin E acetate, d-Alpha Tocopheryl Acetate, RRR-alpha-tocopheryl acetate, (+)-alfa-tocopherol acetate, NCGC00166253-02, alpha-tocopheryl acetate, D-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, alpha-Tocopherol acetate, all rac, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-, DTXSID1031096, DTXSID3021356, Nanotopes, DL-alpha-Tocopherylacetate (Vitamin E acetate), NatAc, D-.alpha.-Tocopherol acetate, a-tocopherol acetate, Vectan (TN), Natur-E granulate, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-, (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate, 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-,acetate, (2R)-, DL--Tocopherol acetate, Lutavit E 50, SMR000857327, CAS-52225-20-4, .alpha.-Tocopheryl acetate, (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, 6-acetate, (2R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-, D-.alpha.-Tocopheryl acetate, (+)-.alpha.-Tocopherol acetate, (+)-.alpha.-Tocopheryl acetate, DTXCID60196594, CCRIS 4389, MFCD00072042, (R,R,R)-.alpha.-Tocopheryl acetate, DL-alpha-Tocopherylacetate (Vitamin E acetate) 10 microg/mL in Acetonitrile, EINECS 200-405-4, EINECS 231-710-0, (+)-|A-Tocopherol acetate, Vitamin E Acetate (D-form), Tocopheryl acetate, D-alpha-, Alpha Tocopheryl Acetate, UNII-9E8X80D2L0, UNII-A7E6112E4N, BRN 0097512, (2R,4'R,8'R)-.alpha.-Tocopheryl acetate, alpha-Tocopherol acetate, (2R,4'R,8'R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-rel-, Tocopherolacetate, alpha-, 54-22-8, Tocopherol acetate [JAN], CHEMBL1047, SCHEMBL22298, MLS001335985, MLS001335986, CHEBI:32321, NSC-755840, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate #, EC 231-710-0, T-3376, HMS2230C20, [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate, 5-17-04-00169 (Beilstein Handbook Reference), Tox21_111491, Tox21_111564, Tox21_113467, Tox21_303444, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-cromanyl acetate, (+)-, 6-Cromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate, AKOS025117621, Tox21_113467_1, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R-(2*(4R*,8R*)))-, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl acetate, (2R-(2*(4R*,8R*)))-, D--Tocopherol acetate, .ALPHA.-TOCOPHEROL ACETATE, D-, CAS-58-95-7, NCGC00095255-08, NCGC00166253-01, NCGC00257504-01, AS-13784, J24.807J, DL-?-Tocopherol Acetate, DL-alpha-Tocopherol acetate, >=96% (HPLC), (+)-a-Tocopherol acetate, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, D01735, DL-alpha-Tocopherol acetate, analytical standard, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-b- enzopyran-6-ol, acetate, Tocopherol acetate (JP18), Tocopheryl Acetate, d-Alpha, Vitamin E acetate (unlabeled), DL-a-Tocopherol acetate - oil, DTXCID601356, ECA8C22F-B5D3-4B88-A9B7-AF6C600001BB, orb1310044, SCHEMBL29352704, (+)- alpha -Tocopherol acetate, DL-alpha-Tocopherol acetate, tested according to Ph.Eur., MSK1510, DL-a-Tocopherol acetate - powder, HY-B1278, TOCOPHERYL ACETATE [WHO-DD], ALPHA-TOCOPHEROL ACETATE, D-, ALPHA-TOCOPHEROL ACETATE. D-, EBC-27184, s3681, Alpha Tocopheryl Acetate, United States Pharmacopeia (USP) Reference Standard, alpha-Tocopherol acetate, European Pharmacopoeia (EP) Reference Standard, DL-alpha-Tocopherol acetate, certified reference material, TraceCERT(R), CCG-269474, DB14002, FT31815, FT33100, NSC 755840, (+)-alpha-Tocopherol acetate, BioReagent, suitable for insect cell culture, ~1360 IU/g, .ALPHA.-TOCOPHEROL ACETATE. D-, Tocopheryl Acetate, a, Pharmaceutical Secondary Standard; Certified Reference Material, .ALPHA.-TOCOPHEROL ACETATE [MI], TOCOPHERYL ACETATE, .ALPHA., D-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate, All-rac-alpha-tocopheryl acetate for peak identification, European Pharmacopoeia (EP) Reference Standard, FT146270, SY019789, D-ALPHA TOCOFERIL ACETATE [MART.], RRR-ALPHA-TOCOPHERYL ACETATE [FCC], TOCOPHERYL ACETATE,D-ALPHA [VANDF], CS-0013056, NS00002261, T2322, A11606, D70796, EN300-7398027, Q364160, Z2681891483, Vitamin E acetate (dimethyl-13C2, acetyl-13C2, 99%; dimethyl-D6, 98%), rel-(R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate
Theoretical properties:
molecular_formula: C31H52O3
molecular_weight: 472.7 g/mol
exact_mass: 472.39164552 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 14
heavy_atom_count: 34
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 363 °F at 0.01 mmHg (NTP, 1992)
melting_point: 82 °F (NTP, 1992)
density: 0.9507 at 78.1 °F (NTP, 1992) - Less dense than water; will float
solubility: less than 1 mg/mL at 63 °F (NTP, 1992)
Descriptions:
pubchem: Alpha-Tocopherol acetate is a tocol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: α-Tocopheryl acetate (alpha-tocopherol acetate), also known as vitamin E acetate, is a form of vitamin E with D-Alpha Tocopheryl Acetate as the natural form and DL-Alpha Tocopheryl Acetate as the synthetic form. DL-indicates the synthetic form where as D- indicates the natural form. It is the ester of acetic acid and α-tocopherol.
The U.S. Centers for Disease Control and Prevention says that vitamin E acetate is a very strong culprit of concern in the 2019 outbreak of vaping-associated pulmonary injury (VAPI), but there is not yet sufficient evidence to rule out contributions from other chemicals. Vaporization of this ester produces toxic pyrolysis products.