Tween 80 - viscous liquid , CAS No.9005-65-6

CAS: 9005-65-6 Cat. No.: T104865 EC Number: 500-019-9

GRADE & PURITY viscous liquid

Synonyms

2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate | DTXSID10864155 | 2-{2-[3,4-Bis(2-hydroxyethoxy)tetrahydro-2-furanyl]-2-(2-hydroxyethoxy)ethoxy}ethyl 9-octadecenoate | MFCD00082107

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Tween 80 is an ethoxylated (20) sorbitan ester based on a natural fatty acid (oleic acid). This ethoxylate is highly effective at forming O/W emulsions, particularly when used in combination with its non-ethoxylated derivative, Span 80. Chemical group Nonionic Surfactants - Sorbitan Esters and Ethoxylated Sorbitan Esters Form @ 25oC Liquid HLB 15 Manufacturer：Croda
Non-ionic detergent used for selective protein extraction and isolation of nuclei from mammalian cell lines.

Specifications

Synonyms

2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate | DTXSID10864155 | 2-{2-[3,4-Bis(2-hydroxyethoxy)tetrahydro-2-furanyl]-2-(2-hydroxyethoxy)ethoxy}ethyl 9-octadecenoate | MFCD00082107

Specifications & Purity

viscous liquid

Legal Information

TWEEN is a registered trademark of Croda International PLC

Storage

Protected from light,Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

508812886

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812886

Canonical Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO

IUPAC Name

2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate

InChIKey

HDTIFOGXOGLRCB-UHFFFAOYSA-N

INCHI

1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-26-28(38-21-18-33)32-31(41-23-20-35)29(27-42-32)39-22-19-34/h9-10,28-29,31-35H,2-8,11-27H2,1H3

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO

WGK Germany

1

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: Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - 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: a small molecule

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

• Solubility: Solubility in water: Completely miscible; Soluble in Toluene,Alcohol
• Sensitivity: Light sensitive.
• x_refractive_index: 1.471-1.473
• x_flash_point_drop_fahrenheit: >235.4 °F
• x_flash_point_drop_centigrade: >110℃
• x_boil_point_char: 100 °C
• x_melt_point_char: –21 °C
• Molecular Weight: 604.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 31
• Exact Mass: 604.419 Da
• Monoisotopic Mass: 604.419 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 632.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1