Cas no 125804-07-1 (Sodium 2-ethylhexanoate)
Sodium 2-ethylhexanoate structure
Product Name:Sodium 2-ethylhexanoate
CAS No:125804-07-1
MF:C21H42O2
MW:326.556987285614
CID:134609
Update Time:2024-01-25
Sodium 2-ethylhexanoate Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-ethyl-
- 2-ETHYL HEXOIC ACID,AR
- Sodium 2-ethylhexanoate
- hexanoic acid, 2-ethyl-, tridecyl ester
- Tridecyl 2-ethylhexanoate
-
- Inchi： 1S/C21H42O2/c1-4-7-9-10-11-12-13-14-15-16-17-19-23-21(22)20(6-3)18-8-5-2/h20H,4-19H2,1-3H3
- InChI Key： BFRLRPIMWQKGTM-UHFFFAOYSA-N
- SMILES： C(OCCCCCCCCCCCCC)(=O)C(CC)CCCC
Computed Properties
- Exact Mass: 326.31866
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Density: 0.861±0.06 g/cm3(Predicted)
- Boiling Point: 368.2±10.0 °C(Predicted)
- PSA: 26.3
Sodium 2-ethylhexanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | S119595-250mg |
Sodium 2-ethylhexanoate |
125804-07-1 | 250mg |
$ 105.00 | 2022-06-03 | ||
| TRC | S119595-500mg |
Sodium 2-ethylhexanoate |
125804-07-1 | 500mg |
$ 170.00 | 2022-06-03 |
Sodium 2-ethylhexanoate Related Literature
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
125804-07-1 (Sodium 2-ethylhexanoate) Related Products
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- 94-28-0(Tri(ethylenglycol)bis-2-ethylhexanoate)
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