Hydrogenated Castor Oil(HCO) , CAS No.8001-78-3

CAS: 8001-78-3 Cat. No.: H196306 Molecular Weight: 939.5 EC Number: 232-292-2

Synonyms

NSC2389 | NSC-2389 | 12-Hydroxyoctadecanoic acid, glyceryl ester | Octadecanoic acid, 12-hydroxy-, 1,2, 3-propanetriyl ester | Olio di ricino idrogenato | ZF94AP8MEY | NSC 2389 | EINECS 232-292-2 | Caswell No. 486A | TRIHYDROXYSTEARIN [INCI] | EPA Pestici

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC2389 | NSC-2389 | 12-Hydroxyoctadecanoic acid, glyceryl ester | Octadecanoic acid, 12-hydroxy-, 1, 2, 3-propanetriyl ester | Olio di ricino idrogenato | ZF94AP8MEY | NSC 2389 | EINECS 232-292-2 | Caswell No. 486A | TRIHYDROXYSTEARIN [INCI] | EPA Pestici

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488182949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182949
• Canonical Smiles: CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O
• IUPAC Name: 2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
• InChIKey: WCOXQTXVACYMLM-UHFFFAOYSA-N
• INCHI: 1S/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
• Isomeric SMILES: CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O
• Molecular Weight: 939.5
• Reaxy-Rn: 1811427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811427&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty alcohols Fatty acid esters Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty alcohol - Fatty acid ester - Fatty acyl - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• 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: 939.500 g/mol
• XLogP3: 19.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 56
• Exact Mass: 938.815 Da
• Monoisotopic Mass: 938.815 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 983.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• 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. Yunsheng Fu, Xianglei Yu, Li Liu, Xianjie Tang, Junpeng Li, Guoyou Gan.  (2023)  Study on Low-Temperature Conductive Silver Pastes Containing Bi-Based Glass for MgTiO3 Electronic Power Devices.  Micromachines,  14  (9): (1663).  [PMID:37763826] [10.3390/mi14091663]

2. Yuxin Tian, Chaobin Mao, Xingyu Zhou, Hao Zhang, Longxiang Yin, Shenghua Ma, Hui Wang.  (2024)  An optimization strategy for improving the aspect ratio of screen printing electronic paste based on rheological properties.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.134453]

3. Xianglei Yu, Hu Sun, Zhuo Qian, Weichao Li, Wei Li, Fuchun Huang, Junpeng Li, Guoyou Gan.  (2024)  Effect of Silver Powder Microstructure on the Performance of Silver Powder and Front-Side Solar Silver Paste.  Materials,  17  (2): (445).  [PMID:38255613] [10.3390/ma17020445]

4. Xue Tiange, Huang Zeya, Zhang Xiaotian, Meng Meng, Yu Shixiang, Chen Tian, Fu Renli.  (2024)  Study on high temperature reliability of electrical interconnection material of SiC pressure sensor.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  35  (10): (1-12).  [PMID:] [10.1007/s10854-024-12308-x]

5. Yu Xianglei, Li Wei, Sun Hu, Qian Zhuo, Li Junpeng, Yu Yang, Gan Guoyou.  (2024)  The effect of Te-based lead-free glass powder containing Ge and Ag+ on the contact formation and electrical performance of silicon solar cells.  Frontiers in Materials,      [PMID:] [10.3389/fmats.2024.1359856]

6. Baisen Hou, Zhiqiang Xia, Zhen Pang, Xinyu Zhou, Zhuo Qian, Wei Li, Mengyao Chai, Jiantao Yin, Junpeng Li, Xianglei Yu, Guoyou Gan.  (2026)  Optimizing Rheology and Structure of Silver Pastes for Screen-Printed Silicon Solar Cells.  Materials,  19  (5): (918).  [PMID:41828185] [10.3390/ma19050918]