chempirical
Back to Search

Molecule

Α-Tocopheryl Acetate

CAS: 58-95-7 · C31H52O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
58-95-7
Molecular Formula
C31H52O3
Molecular Mass
472.75 g/mol

Identifiers

CAS Registry Number

58-95-7

SMILES

CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2

InChI Key

ZAKOWWREFLAJOT-CEFNRUSXSA-N

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

Names and Synonyms

  • Α-Tocopheryl Acetate Common Name
  • E-Toplex Synonym
  • Evipherol Synonym
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)- Synonym
  • 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)- Synonym
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]- Synonym
  • α-Tocopherol acetate Synonym
  • Vitamin E acetate Synonym
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)- Synonym
  • (+)-α-Tocopherol acetate Synonym
  • d-α-Tocopheryl acetate Synonym
  • (+)-α-Tocopheryl acetate Synonym
  • α-Tocopheryl acetate Synonym
  • d-α-Tocopherol acetate Synonym
  • 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol acetate Synonym
  • Tocophrin Synonym
  • Fertilvit Synonym
  • Endo E Dompe Synonym
  • Gevex Synonym
  • Alfacol Synonym
  • Epsilan-M Synonym
  • Econ Synonym
  • E-Ferol Synonym
  • Tocopherex Synonym
  • Tofaxin Synonym
  • Ephynal acetate Synonym
  • Contopheron Synonym
  • Ecofrol Synonym
  • Tokoferol acetate Synonym
  • Combinal E Synonym
  • Erevit Synonym
  • (2R,4′R,8′R)-α-Tocopheryl acetate Synonym
  • (R,R,R)-α-Tocopheryl acetate Synonym
  • Vitamin Eα acetate Synonym
  • (2R,4′R,8′R)-α-Tocopherol acetate Synonym
  • D-α-Tocopherol acetate Synonym
  • Covitol 1360 Synonym
  • Tocopheryl acetate Synonym
  • Copherol 1250 Synonym
  • Tocopherol acetate Synonym
  • Copherol 12250 Synonym
  • D-α-Tocopheryl acetate Synonym
  • Covitol 1100 Synonym
  • d-Vitamin E acetate Synonym
  • E-Vicotrat Synonym
  • Spondyvit Synonym
  • Tinoderm E Synonym
  • Nanotopes Synonym
  • Lutavit E 50 Synonym
  • Covitol Synonym
  • E 230 Clear Synonym
  • Vitamin E 230 Clear Synonym
  • NatAc Synonym
  • Natur-E granulate Synonym
  • Covitol 700WD Synonym
  • Covitol 700 Synonym
  • Copherol F 1250C Synonym
  • T-3376 Synonym
  • Evicup Synonym
  • Vitapherol Synonym
  • Riken E Acetate α Synonym
  • D-Alpha-tocopheryl acetate Synonym
  • Onynex potassium Synonym
  • Onynex K Synonym
  • VEA Olio Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 472.75 g/mol CAS Common Chemistry
472.7540000000004 g/mol RDKit
472.754 g/mol RDKit
Density 0.95 g/cm³ CAS Common Chemistry
0.9533 g/cm3 @ 21.34 °C CAS Common Chemistry
Wikipedia Url https://en.wikipedia.org/wiki/%CE%91-Tocopheryl_acetate CAS Common Chemistry
Canonical SMILES O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C CAS Common Chemistry
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 CAS Common Chemistry
InChI Key InChIKey=ZAKOWWREFLAJOT-CEFNRUSXSA-N CAS Common Chemistry
Melting Point -27.5 °C CAS Common Chemistry
Name Tocopheryl acetate CAS Common Chemistry
Heavy Atom Count 34 RDKit
Hydrogen Bond Acceptors 3 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 13 RDKit
Aromatic Ring Count 1 RDKit
Topological Polar Surface Area 35.53 Ų RDKit
LogP 9.059960000000002 RDKit
9.06 RDKit
9.61 chempirical lib
Molar Refractivity 144.03499999999988 cm³/mol RDKit
Ring Count 2 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.7742 RDKit
0.77 chempirical lib
Exact Mass 472.39164552399996 g/mol RDKit
Boiling Point 224 °C @ 0.3 Torr CAS Common Chemistry

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 472.75 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.

Related

Related molecules

Other compounds with formula C31H52O3.

Dl-Α-Tocopherol Acetate CAS 52225-20-4 2H-1-Benzopyran-6-Ol, 3,4-Dihydro-2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-, 6-Acetate CAS 7695-91-2

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close