Castor oil - PharmPure™, USP , CAS No.8001-79-4

CAS: 8001-79-4 Cat. No.: C110662 Summenformel: C₅₇H₁₀₄O₉ Molekulargewicht: 933.44 EG-Nummer: 232-293-8

GRADE & PURITY PharmPure™, USP

Synonyms

EINECS 232-293-8 | FEMA No. 2263 | Oleum Ricini | UNII-D5340Y2I9G | Olio di ricino | Olio di ricino [Italian] | 2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate | Venelex | EPA Pesticide Chemical Code 031608 | Optase | Xena

Storage

Protected from light,Room temperature

Shipped In

Normal

Übersicht

Application：

Castor oil is used in food additives, flavorings, candy and as a mold inhibitor. Its derivatives are used in the production of soaps, lubricants, hydraulic and brake fluids, paints, coatings, lithium grease and cold resistant plastics. It finds application in waxes, polishes, nylon, pharmaceuticals and perfumes. It is involved in the preparation of linoleic acids by dehydration, 2-octanol, sebacic acid and undecylenic acid, which is a precursor for polymer nylon 11 and heptanal. It is involved in the preparation of 12-hydroxystearic acid by hydrogenation and saponification. It is useful as a lubricant in jet, diesel, and racing engine. Further, it is used as a laxative.

Specifications

Synonyme

EINECS 232-293-8 | FEMA No. 2263 | Oleum Ricini | UNII-D5340Y2I9G | Olio di ricino | Olio di ricino [Italian] | 2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate | Venelex | EPA Pesticide Chemical Code 031608 | Optase | Xena

Spezifikationen & Reinheit

PharmPure™, USP

Storage

Protected from light,Room temperature

Verschickt in

Normal

Note

PharmPure™, USP

Namen und Kennungen

• Pubchem Sid: 504767553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767553
• Kanonisches Lächeln: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O
• IUPAC Name: 2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate
• InChIKey: ZEMPKEQAKRGZGQ-AAKVHIHISA-N
• INCHI: 1S/C57H104O9/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/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-
• Isomere SMILES: CCCCCCC(O)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CC(O)CCCCCC)COC(=O)CCCCCCC/C=C\CC(O)CCCCCC
• Molekulargewicht: 933.44
• Reaxy-Rn: 1718707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718707&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with methanol, diethyl ether, chloroform, glacial acetic acid, benzene and carbon disulfide. Immiscible with cold water.
• Empfindlichkeit: Moisture sensitive. Light sensitive
• Brechungsindex: 1.4780
• Flammpunkt (°F): 446°F
• Flammpunkt (°C): 230℃
• Siedepunkt (°C): 313°C
• Molekulargewicht: 933.400 g/mol
• XLogP3: 17.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 53
• Exact Mass: 932.768 Da
• Monoisotopic Mass: 932.768 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1