1-Stearoyl-rac-glycerol - ≥99% , CAS No.123-94-4

CAS: 123-94-4 Cat. No.: S112705 Molecular Weight: 358.56 Beilstein Registry Number: 1728685 EC Number: 204-664-4

GRADE & PURITY ≥99%

Synonyms

1-Glyceryl stearate | Cutina gms | Emerest 2401 | Admul | Citomulgan M | Ogeen 515 | Grocor 5500 | Aldo 75 | Cerasynt SE | EINECS 204-664-4 | Imwitor 491 | NSC 3875 | 1-Monostearoylglycerol | Monostearate (glyceride) | Atmul 124 | Cerasynt 1000-D | Glycer

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-Glyceryl stearate | Cutina gms | Emerest 2401 | Admul | Citomulgan M | Ogeen 515 | Grocor 5500 | Aldo 75 | Cerasynt SE | EINECS 204-664-4 | Imwitor 491 | NSC 3875 | 1-Monostearoylglycerol | Monostearate (glyceride) | Atmul 124 | Cerasynt 1000-D | Glycer

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504753250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753250
• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
• IUPAC Name: 2,3-dihydroxypropyl octadecanoate
• InChIKey: VBICKXHEKHSIBG-UHFFFAOYSA-N
• INCHI: 1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
• WGK Germany: 1
• Molecular Weight: 358.56
• Beilstein: 1728685
• Reaxy-Rn: 1728685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Monoradylglycerols
        • Level5 Monoacylglycerols
          • Level6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Monoacylglycerols
• Direct Parent: 1-monoacylglycerols
• Alternative Parents: Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
• External Descriptors: Monoacylglycerols

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

Associated Targets(Human)

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLA2G2A Tchem Phospholipase A2 group IIA (1079 Activities)

Discover Target: PLA2G2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NUGC-3 (976 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LNCaP (8286 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 70°C
• Molecular Weight: 358.600 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 358.308 Da
• Monoisotopic Mass: 358.308 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Huamei Li, Fuda Dai, Hanyu Liu, Qi Tao, Jie Hu, Yangrong Zhang, Zhenping Xiao, Ilva D. Rupenthal, Huihui Li, Fan Yang, Wei Li, Huaqing Lin, Dongzhi Hou.  (2023)  Physicochemical properties and micro-interaction between micro-nanoparticles and anterior corneal multilayer biological interface film for improving drug delivery efficacy: the transformation of tear film turnover mode.  DRUG DELIVERY,      [PMID:36866574] [10.1080/10717544.2023.2184312]

2. Zipeng Liu, Ling Chen, Bo Zheng.  (2022)  Control of starch–lipid interactions on starch digestibility during hot-extrusion 3D printing for starchy foods.  Food & Function,  13  (9): (5317-5326).  [PMID:35445679] [10.1039/D2FO00558A]

3. Qi Zhao, Jian Li, Yang Xu, Dandan Lv, Kanyasiri Rakariyatham, Dayong Zhou.  (2019)  Rapid extraction of free fatty acids from edible oil after accelerated storage based on amino-modified magnetic silica nanospheres.  Analytical Methods,  11  (35): (4520-4527).  [PMID:] [10.1039/C9AY01082C]

4. Jianbo Li, Ertai Ye, Jingwen Huang, Meng Xu, Jieke Zhang, Junrong Zhang, Huijie Cai, Jinjie Zhang.  (2024)  Cysteine-modified PEGylated nanoparticles for targeted delivery of methylprednisolone to pancreatitis.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38199584] [10.1016/j.ejpb.2024.114179]

5. Jiawei Li, Chengyu Hong, Jiaqi Zhang, Ruixue Zhai, Ye Han, Mengsong Liu, Yongquan Wang, Yutong Song, Chao Zhou.  (2024)  Novel multifunctional highly crosslinked bio-based waterborne polyurethane networks modified via long fatty hydrophobic side chains.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2024.108340]

6. Linghua Zhang, Shu Yang, Ahmed S.M. Saleh, Rui Wang, Zhigang Xiao.  (2025)  Influence of Emulsifier Type on Sunflower Oil Oleogels Structured with Ethylcellulose.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118841]