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Sodium undecylenate

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Sodium undecylenate

EINECS 222-264-8
CAS No. 3398-33-2 Density 1.63 g/cm3
PSA 40.13000 LogP 2.04310
Solubility Soluble in water Melting Point N/A
Formula C11H20NaO2 Boiling Point 300.8 °C at 760 mmHg
Molecular Weight 206.26 Flash Point 145.8 °C
Transport Information N/A Appearance white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3398-33-2 (Sodium undecylenate) Hazard Symbols N/A

10-Undecenoicacid, sodium salt (8CI,9CI);Sodium 10-undecenoate;Sodium 10-undecylenate;Solution 35;10-Undecenoic acid,sodium salt (1:1);10-Undecenoic acid, sodium salt;10-Undecenoic, sodium salt;Sodium undec-10-enoate;

Article Data 1

Sodium undecylenate Specification

The Sodium undecylenate, with the CAS registry number 3398-33-2, is also known as 10-Undecenoic, sodium salt. Its EINECS number is 222-264-8. This chemical's molecular formula is C11H20NaO2 and molecular weight is 207.26. What's more, its IUPAC name is sodium; undec-10-enoic acid. 

Physical properties of Sodium undecylenate are: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 100.79; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 561.44; (8)ACD/KOC (pH 7.4): 9.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 145.8 °C; (14)Enthalpy of Vaporization: 59.5 kJ/mol; (15)Boiling Point: 300.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCCCCCCCCC(=O)O.[Na]
(2)InChI: InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1

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