Span® 80 - nonionic surfactant , CAS No.1338-43-8

CAS: 1338-43-8 Cat. No.: S110839 分子式: C₂₄H₄₄O₆ 分子量: 428.61 Beilstein Registry Number: 8172514 EC番号: 215-665-4

GRADE & PURITY nonionic surfactant

Synonyms

Oleate de sorbitan [INN-French] | MO 33F | n-BUTYL HYDRAZINE OXALATE | Sorbitan mono-oletae | Kosteran O 1 | S0060 | Anhydrosorbitol monooleate | Sorbitani oleas [INN-Latin] | Armotan MO | Dianhydromannitol monooleate | Sorbon S 80 | Span(R) 80, viscosity

Storage

Room temperature

Shipped In

Normal

概要

Span 80 is a biodegradable surfactant based on a natural fatty acid (oleic 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 80. Chemical group：Nonionic Surfactants - Sorbitan Esters and Ethoxylated Sorbitan Esters Fatty acid composition: Oleic acid (C18:1) ≤ 60%; balance primarily linoleic (C18:2), linolenic (C18:3) and palmitic (C16:0) acids. 
Span® 80 has been used in a study to assess transfersomes as a transdermal delivery system for sertraline. It has also been used in a study to investigate the dominant factors affecting the stability of nanoemulsions through the use of artificial neural networks (ANNs).

Specifications

同義語

Oleate de sorbitan [INN-French] | MO 33F | n-BUTYL HYDRAZINE OXALATE | Sorbitan mono-oletae | Kosteran O 1 | S0060 | Anhydrosorbitol monooleate | Sorbitani oleas [INN-Latin] | Armotan MO | Dianhydromannitol monooleate | Sorbon S 80 | Span(R) 80, viscosity

仕様と純度

nonionic surfactant

法的情報

Span is a registered trademark of Croda International PLC

保管条件

Room temperature

入荷

Normal

名前と識別子

パブケム・シド

488196427

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488196427

カノニカル・スマイル

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O

IUPAC Name

[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate

InChIKey

NWGKJDSIEKMTRX-AAZCQSIUSA-N

INCHI

1S/C24H44O6/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/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1

異性体SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O

WGKドイツ

1

RTECS

WG2932400

分子量

428.61

Beilstein

8172514

Reaxy-Rn

6346073

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（人間）

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol at 50mg/mlMiscible with water, ethanol, isopropanol and ether. Insoluble in acetone.
• 感度: Moisture sensitive.
• 屈折率: 1.48
• 引火点（°F）: >230℉
• 引火点（°C）: >110℃
• 分子量: 428.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 19
• Exact Mass: 428.314 Da
• Monoisotopic Mass: 428.314 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 453.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1338-43-8, the molecular formula is C24H44O6, and the molecular weight is 428.61 g/mol. InChIKey NWGKJDSIEKMTRX-AAZCQSIUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.