| 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 | |
|---|