chempirical

DL-α-Tocopherol acetate

C31H52O3CAS 52225-20-4472.75 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C31H52O3
Molar mass
472.75 g/mol
Exact mass
472.3916 Da
Melting point
−27.5 °C
Boiling point
184 °C (at 0.01 Torr)
logP
9.06Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
13
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
52225-20-4
SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2
InChIKey
ZAKOWWREFLAJOT-XVJJFFMLNA-N
InChI
InChI=1/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-/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

30 names · show all
  • DL-α-Tocopheryl acetate
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(±)-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-
  • Ephynal
  • Syntopherol acetate
  • (±)-α-Tocopherol acetate
  • All-rac-α-Tocopheryl acetate
  • Rovimix E 50SD
  • Toco500
  • E-Vimin
  • OptoVit E
  • Dl-Vitamin E acetate
  • Vitagutt
  • Eusovit
  • Detulin
  • Rovimix E 50AS
  • SynAC
  • Rovimix E 50ads
  • Evigen
  • Alfacol
  • Fertilvit
  • Gevex
  • α-Tocopherol acetate
  • α-Tocopheryl acetate
  • Tocopherol acetate
  • Diluvac forte
  • Rovimix E 50
  • Rovimix E
  • Dry vitamin E 50% CWS/A

Work with DL-α-Tocopherol acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Tocopheryl acetate58-95-7Enantiomer Dl-alpha-tocopherol acetate7695-91-2Stereo not defined

Similar compounds

Alpha-Tocopherol succinate4345-03-370 % similar Dl-α-Tocopherol10191-41-067 % similar Dl-α-Tocopherol calcium succinate14638-18-767 % similar Dl-α-Tocopherol2074-53-567 % similar α-Tocopherol59-02-967 % similar Tocofersolan9002-96-466 % similar Tocopherol nicotinate16676-75-864 % similar Tocopherol nicotinate43119-47-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook