Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-09-09 21:34:14 UTC |
---|
Updated at | 2024-09-09 21:34:14 UTC |
---|
NP-MRD ID | NP0333989 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Polysorbate 80 |
---|
Description | Emulsifier, surfactant in production of coarse cryst. NaCl, stabiliser, wetting agent in poultry scalds, colour diluent, flavour
Polysorbate 80 is a nonionic surfactant and emulsifier derived from polyethoxylated sorbitan and oleic acid, and is often used in foods. Polysorbate 80 is a viscous, water-soluble yellow liquid. |
---|
Structure | [H]C(COCCOC(=O)CCCCCCCCCCC)(OCCO)[C@@]1([H])OCC([H])(OCCO)[C@@]1([H])OCCO InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3/t22?,23?,25-,26-/m1/s1 |
---|
Synonyms | Value | Source |
---|
Polysorbic acid 80 | Generator | 20, Polysorbate | MeSH | 85, Tween | MeSH | Derivatives, sorbitan | MeSH | PSML | MeSH | Polysorbate 80 | MeSH | Tween 81 | MeSH | 80, Tween | MeSH | 81, Tween | MeSH | Monolaurate, polyoxyethylene sorbitan | MeSH | Tween 60 | MeSH | Tween 85 | MeSH | Tweens | MeSH | 20, Tween | MeSH | 60, Tween | MeSH | Polyoxyethylene sorbitan monolaurate | MeSH | Sorbitan derivatives | MeSH | Sorbitan monolaurate, polyoxyethylene | MeSH | 80, Polysorbate | MeSH | Tween 20 | MeSH | Tween 80 | MeSH | Polysorbate 20 | MeSH | Polysorbates | MeSH |
|
---|
Chemical Formula | C26H50O10 |
---|
Average Mass | 522.6760 Da |
---|
Monoisotopic Mass | 522.34040 Da |
---|
IUPAC Name | 2-{2-[(2R,3R)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy}ethyl dodecanoate |
---|
Traditional Name | 2-{2-[(2R,3R)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy}ethyl dodecanoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]C(COCCOC(=O)CCCCCCCCCCC)(OCCO)[C@@]1([H])OCC([H])(OCCO)[C@@]1([H])OCCO |
---|
InChI Identifier | InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3/t22?,23?,25-,26-/m1/s1 |
---|
InChI Key | HMFKFHLTUCJZJO-HHVQYONYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Fatty Acyls |
---|
Sub Class | Fatty acid esters |
---|
Direct Parent | Fatty acid esters |
---|
Alternative Parents | |
---|
Substituents | - Fatty acid ester
- Tetrahydrofuran
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Organic oxide
- Carbonyl group
- Alcohol
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|