Span™ 60 - Nonionic Surfactants , CAS No.1338-41-6

CAS: 1338-41-6 Cat. No.: S112961 Formula: C₂₄H₄₆O₆ Molecular Weight: 430.6 Beilstein Registry Number: 6820761 EC Number: 215-664-9 PubChem CID: 16218600

GRADE & PURITY Nonionic Surfactants

Synonyms

DSSTox_GSID_27396 | EINECS 215-664-9 | MS 33 | Stearic acid, monoester with sorbitan | 1,4-Anhydro-D-glucitol 6-stearate | SCHEMBL5447 | A894695 | Crill 3 | PEONIDIN-3-MONOGLUCOSIDE CHLORIDE | AM803030 | DTXCID6028525 | Estearato de sorbitano | INS-491 |

Storage

Room temperature

Shipped In

Normal

Overview

Span 60 is a biodegradable surfactant based on a natural fatty acid (stearic acid) and the sugar alcohol sorbitol. This sorbitan ester is highly effective at forming O/W emulsions, particularly when used in combination with its polyethoxylated derivative, Tween 60. Fatty acid composition: Stearic acid (C18:0) approx. 50%; balance primarily palmitic acid (C16:0). Chemical group: Nonionic Surfactants - Sorbitan Esters and Ethoxylated Sorbitan Esters Manufacturer：Croda

Specifications

Synonyms

DSSTox_GSID_27396 | EINECS 215-664-9 | MS 33 | Stearic acid, monoester with sorbitan | 1,4-Anhydro-D-glucitol 6-stearate | SCHEMBL5447 | A894695 | Crill 3 | PEONIDIN-3-MONOGLUCOSIDE CHLORIDE | AM803030 | DTXCID6028525 | Estearato de sorbitano | INS-491 |

Specifications & Purity

Nonionic Surfactants

Legal Information

Span is a registered trademark of Croda International PLC

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488199315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199315

Canonical Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O

IUPAC Name

[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate

InChIKey

HVUMOYIDDBPOLL-XWVZOOPGSA-N

INCHI

1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21+,23+,24+/m0/s1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O

WGK Germany

1

RTECS

WG2933500

PubChem CID

16218600

Molecular Weight

430.6

Beilstein

6820761

Reaxy-Rn

5989515

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

Associated Targets(non-human)

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

• Solubility: Soluble in ethanol (50 mg/ml), isopropanol, mineral oil and vegetable oil. Insoluble in water.
• Sensitivity: Moisture sensitive.
• Flash Point(°C): >149℃
• Melt Point(°C): 56-58°C
• Molecular Weight: 430.600 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 20
• Exact Mass: 430.329 Da
• Monoisotopic Mass: 430.329 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 417.000
• 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