Hydroxypinacolone Retinoate - ≥99% , CAS No.893412-73-2

CAS: 893412-73-2 Cat. No.: H304847 Molecular Weight: 398.6 EC Number: 826-245-0

GRADE & PURITY ≥99%

Synonyms

(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 | NJ3V2F02E1 | I10284 | Q27284891 | Granactive retexture T | Hydroxypinacolone retinoate | Retinoic acid, 1-hydroxy-3,3-diemthyl-2-butanone es

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester, is a Retinoic Acid derivative that has shown to be used for treatment of dermatological disorders.

Specifications

Synonyms

(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 | NJ3V2F02E1 | I10284 | Q27284891 | Granactive retexture T | Hydroxypinacolone retinoate | Retinoic acid, 1-hydroxy-3, 3-diemthyl-2-butanone es

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769945
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769945
• Canonical Smiles: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC(=O)C(C)(C)C)C)C
• IUPAC Name: (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
• InChIKey: XLPLFRLIWKRQFT-XUJYDZMUSA-N
• 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+
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC(=O)C(C)(C)C)/C)/C
• Molecular Weight: 398.6
• Reaxy-Rn: 30675040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30675040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Retinoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Retinoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Retinoid esters
• Alternative Parents: Diterpenoids Fatty acid esters Alpha-acyloxy ketones Enoate esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Retinoid ester - Diterpenoid - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as retinoid esters. These are ester derivatives of retinoic acid. These are obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 398.600 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 398.282 Da
• Monoisotopic Mass: 398.282 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 762.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1

References

1. De Bai, Fan Hu, Huixian Xu, Jiahong Huang, Chengyu Wu, Jiaheng Zhang, Rui Ye.  (2023)  High Stability and Low Irritation of Retinol Propionate and Hydroxypinacolone Retinoate Supramolecular Nanoparticles with Effective Anti-Wrinkle Efficacy.  Pharmaceutics,  15  (3): (731).  [PMID:36986592] [10.3390/pharmaceutics15030731]

2. Huixian Xu, Rui Ye, Ye Zhong, Wanling Chen, Jichuan Zhang, Zhenyuan Wang, Le Du, Fan Hu, Chengyu Wu, Jiaheng Zhang.  (2025)  Retinoid-loaded ionic liquid nanoparticles: Decreased irritation, enhanced transdermal delivery and synergistic anti-wrinkle.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2025.102735]