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CAS No.: | 4070-80-8 |
---|---|
Name: | Sodium octadecyl fumarate |
Molecular Structure: | |
Formula: | C22H39NaO4 |
Molecular Weight: | 390.53 |
Synonyms: | 2-Butenedioicacid (2E)-, monooctadecyl ester, sodium salt (9CI);2-Butenedioic acid (E)-, monooctadecylester, sodium salt;Fumaric acid, monooctadecyl ester, sodium salt (8CI);Fumaric acid, octadecyl ester, sodium salt (7CI);Pruv;Sodium monostearylfumarate;Sodium stearyl fumarate; |
EINECS: | 223-781-1 |
Boiling Point: | 483.4 °C at 760 mmHg |
Flash Point: | 153.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/38 |
Safety: | 26 |
PSA: | 77.43000 |
LogP: | 5.39890 |
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IUPAC Name: sodium (E)-4-octadecoxy-4-oxobut-2-enoate
Empirical Formula: C22H39NaO4
Molecular Weight: 390.5324g/mol
EINECS: 223-781-1
Structure of 2-Butenedioic acid(2E)-, monooctadecyl ester, sodium salt (1:1) (CAS NO.4070-80-8):
Flash Point: 153.5 °C
Enthalpy of Vaporization: 81.98 kJ/mol
Boiling Point: 483.4 °C at 760 mmHg
Vapour Pressure: 1.14E-10 mmHg at 25°C
Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)[O-].[Na+]
Isomeric SMILES: CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-].[Na+]
InChI: InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;
InChIKey: STFSJTPVIIDAQX-LTRPLHCISA-M
2-Butenedioic acid(2E)-, monooctadecyl ester, sodium salt (1:1) , its cas register number is 4070-80-8. It also can be called Sodium monooctadecyl 2-butenedioate, (E)- ; Sodium monooctadecyl fumarate ; Sodium monostearyl fumarate ;
Sodium stearyl fumarate ; Sodium stearyl fumarate ; UNII-7CV7WJK4UI .