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Also known as: 7069-42-3, Retinol propionate, Retinol, propanoate, Vitamin a propionate, [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate, 32jk994wmc

Molecular Formula

C₂₃H₃₄O₂

Molecular Weight

342.5 g/mol

InChI Key

SFRPDSKECHTFQA-ONOWFSFQSA-N

FDA UNII

32JK994WMC

1 2D Structure

Vitamin A Propionate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate

2.1.2 InChI

InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+

2.1.3 InChI Key

SFRPDSKECHTFQA-ONOWFSFQSA-N

2.1.4 Canonical SMILES

CCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

2.1.5 Isomeric SMILES

CCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C

2.2 Other Identifiers

2.2.1 UNII

32JK994WMC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Retinol Propanoate

2.3.2 Depositor-Supplied Synonyms

1. 7069-42-3

2. Retinol Propionate

3. Retinol, Propanoate

4. Vitamin A Propionate

5. [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] Propanoate

6. 32jk994wmc

7. Ec 230-363-2

8. Unii-32jk994wmc

9. Propionic Acid, Retinol Ester

10. (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl Propionate

11. Einecs 230-363-2

12. Retinol, 15-propanoate

13. Retinyl Propionate [inci]

14. Dtxsid701019851

15. Microvit A Dlc [veterinary] (tn)

16. Retinol Propionate [who-dd]

17. Zinc16609980

18. Akos024386409

19. Retinol, Propionate, All-trans-

20. Ac-34856

21. Ls-15018

22. Vitamin A Propionate 2.5 Mio Iu/g

23. All-(e)-retinol Propionate [who-ip]

24. D08477

25. Retinyl Propionate (stabilized With Bht) 90%

26. W-110194

27. Q27256177

28. Retinyl Propionate (stabilized With Bht) 90per Cent

29. Retinyl Propionate, >=98.0% (sum Of Isomers, Hplc), ~2500 U/mg

30. Retinyl Propionate, Pharmaceutical Secondary Standard; Certified Reference Material

31. (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ylpropionate

32. (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenyl Propionate

2.4 Create Date

2005-10-07

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₄O₂
Molecular Weight	342.5 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	342.255880323 g/mol
Monoisotopic Mass	342.255880323 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	610
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1