1.0 2016-05-19 02:29:01 UTC 2026-05-14 19:39:22 UTC ALPHA-TOCOPHEROL ACETATE SmallMolecule ALPHA-TOCOPHEROL ACETATE (C31H52O3) is a compound with an average molecular weight of 472.74 g/mol. ALPHA-TOCOPHEROL ACETATE belongs to the quinone and hydroquinone lipids, a subclass of prenol lipids within the organic compounds. It serves several industrial roles, acting as a preservative, a flavouring and nutrient, and a fragrance. Additionally, it functions as an antioxidant in both biological and industrial contexts (PMC7333894). The compound is found in or released from 21 recorded sources. These include drinking water and water supply (drinking water), as well as food, food processing and cookware, specifically in the processing of meats and the preparation of vinegar, wine, or sparkling wine, and food contact materials. In the household cleaning and consumer products sector, it is associated with soap dispensers, other smoking requisites, pipe accessories, and non-electric simulated smoking devices. Within building and construction, it is found in floors, ceilings, fencing, and sunshades awnings or outside screens. It is also present in electrical and electronic equipment, including magnets, power cables, antennas, line transmission systems, and radio transmission systems, among two other sources. Recorded exposure routes for this compound include oral, inhalation, and touch. At the molecular level, ALPHA-TOCOPHEROL ACETATE interacts with six recorded protein targets. These include protein kinase C beta type (PRKCB), nuclear receptor subfamily 1 group I member 2 (NR1I2), SEC14-like protein 2 (SEC14L2), SEC14-like protein 3 (SEC14L3), and two other proteins. 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate D-alpha-Tocopheryl acetate Tocopheryl acetate C31H52O3 472.7428 472.39164553 (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate tocopheryl acetate 58-95-7 [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1 ZAKOWWREFLAJOT-CEFNRUSXSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Vitamin E compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Carbonyl compounds Carboxylic acid esters Diterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Diterpenoid Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Aromatic heteropolycyclic compounds tocol Detected and Not Quantified D-alpha-Tocopherol acetate Drug Metabolism Action Pathway SMP0145064 logp 10.42 logp 9.19 ALOGPS logs -8.21 ALOGPS solubility 2.93e-06 g/l ALOGPS logp 10.42 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate ChemAxon average_mass 472.7428 ChemAxon mono_mass 472.39164553 ChemAxon smiles [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 ChemAxon formula C31H52O3 ChemAxon inchi InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1 ChemAxon inchikey ZAKOWWREFLAJOT-CEFNRUSXSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 144.53 ChemAxon polarizability 60.48 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727ba03a30> DB14002 86472 77987 BE0000339 BE0000256 BE0000956 BE0000872 BE0000248 BE0001132