Hydroxypinacolone Retinoate

Basic Information

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CAS Number

893412-73-2

Molecular Formula

C26H38O3

Molecular Weight

398.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC(=O)C(C)(C)C)C)C

InChI

InChI=1S/C26H38O3/c1-19(14-15-22-21(3)13-10-16-26(22,7)8)11-9-12-20(2)17-24(28)29-18-23(27)25(4,5)6/h9,11-12,14-15,17H,10,13,16,18H2,1-8H3/b12-9+,15-14+,19-11+,20-17+

InChIKey

XLPLFRLIWKRQFT-XUJYDZMUSA-N

LogP

6.676400000000007

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

762

Synonyms & References

English

Retinoicacid, 3,3-dimethyl-2-oxobutyl ester
(3,3-dimethyl-2-oxobutyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Hydroxypinacolone Retinoate
3,3-Dimethyl-2-oxobutyl retinoate (ACI)
Hydroxypinacolone retinoate
MDI 101
I10284
NJ3V2F02E1
Retinoic acid, 1-hydroxy-3,3-diemthyl-2-butanone ester, trans
893412-73-2
Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester;
Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester
Retinoic acid, 3,3-dimethyl-2-oxobutyl ester
SCHEMBL13124361
CS-0438656
(2E,4E,6E,8E)-3,3-Dimethyl-2-oxobutyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Granactive retexture T
(2E,4E,6E,8E)-3,3-Dimethyl-2-oxobutyl3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
AS-83392
PD161251
Q27284891
UNII-NJ3V2F02E1
HYDROXYPINACOLONE RETINOATE [INCI]

MDL Number

MFCD23703841

FAQ

What are the physical and chemical properties of Hydroxypinacolone Retinoate (CAS: 893412-73-2)?

Hydroxypinacolone Retinoate (CAS: 893412-73-2) has a crystalline form with a molecular weight of approximately 302.37 g/mol. Its solubility is limited in water but increases in organic solvents like ethanol. The compound is relatively stable, showing reduced reactivity towards common acids and bases, but it can undergo hydrolysis under basic conditions. It is insoluble in water but soluble in polar organic solvents.

How is Hydroxypinacolone Retinoate (CAS: 893412-73-2) typically synthesized?

Hydroxypinacolone Retinoate (CAS: 893412-73-2) is typically synthesized through the esterification of hydroxypinacolone with retinoic acid in the presence of a catalytic amount of an acid, such as sulfuric acid. The reaction involves the formation of an ester bond, leading to a yield of around 60-70%. The process requires careful monitoring to ensure high selectivity and purity of the product.

What industries use Hydroxypinacolone Retinoate (CAS: 893412-73-2)?

Hydroxypinacolone Retinoate (CAS: 893412-73-2) is primarily used in the pharmaceutical industry for its potential skin benefits. It is also utilized in the cosmetic industry for its antioxidant and anti-aging properties. Additionally, it has applications in the polymer industry for enhancing material properties and in the food industry as a preservative.

What precautions should be taken when handling Hydroxypinacolone Retinoate (CAS: 893412-73-2)?

When handling Hydroxypinacolone Retinoate (CAS: 893412-73-2), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat sources and direct sunlight. Spills should be cleaned up using appropriate agents, and the area should be well-ventilated. Always consult the safety data sheet (SDS) for detailed handling and disposal information.