Span 40 - Reagent grade , CAS No.26266-57-9

CAS: 26266-57-9 Cat. No.: S112963 Molecular Weight: 402.57 EC Number: 247-568-8 PubChem CID: 16212480

GRADE & PURITY Reagent Grade

Synonyms

Endrin 20 EC | Protachem SMP | Rheodol SP-P 10 | AI3-03901 | BCP14221 | Crill 2 | EINECS 247-568-8 | [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate | SORBITAN PALMITATE [INCI] | SORBITAN, MONOHEXADECANOATE | DSSTox_CID_9335 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Endrin 20 EC | Protachem SMP | Rheodol SP-P 10 | AI3-03901 | BCP14221 | Crill 2 | EINECS 247-568-8 | [(2R)-2-[(2R, 3R, 4S)-3, 4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate | SORBITAN PALMITATE [INCI] | SORBITAN, MONOHEXADECANOATE | DSSTox_CID_9335 |

Specifications & Purity

Reagent grade

Storage

Room temperature

Shipped In

Normal

Grade

Reagent Grade

Names and Identifiers

• Pubchem Sid: 488199160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199160
• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
• IUPAC Name: [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
• InChIKey: IYFATESGLOUGBX-YVNJGZBMSA-N
• INCHI: 1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
• WGK Germany: 1
• RTECS: WG2932900
• PubChem CID: 16212480
• Molecular Weight: 402.57
• Reaxy-Rn: 10040938

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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

• Sensitivity: Moisture sensitive.
• Flash Point(°F): 235.4℉
• Flash Point(°C): 113°C
• Melt Point(°C): 46-47°C
• Molecular Weight: 402.600 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 18
• Exact Mass: 402.298 Da
• Monoisotopic Mass: 402.298 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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