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Retinoic acid sodium salt

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Name

Retinoic acid sodium salt

EINECS N/A
CAS No. 13497-05-7 Density N/A
PSA 40.13000 LogP 4.26790
Solubility N/A Melting Point 180-182oC
Formula C20H27O2•Na Boiling Point N/A
Molecular Weight 322.46 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. An experimental teratogen. When heated to decomposition it emits toxic fumes of Na2O. Risk Codes N/A
Molecular Structure Molecular Structure of 13497-05-7 (all-trans-Retinoic acid sodium salt) Hazard Symbols 3
Synonyms

Retinoic acid,all-trans-,sodium salt;Vitamin A acid sodium salt;Retinoic acid,sodium salt;Sodium retinoate;

 

Retinoic acid sodium salt Chemical Properties

Molecule structure of Sodium retinoate (CAS NO.13497-05-7) :

IUPAC Name: sodium (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate 
Molecular Weight: 322.41695 g/mol
Molecular Formula: C20H27NaO2 
Density: 1.011 g/cm3 
Boiling Point: 462.8 °C at 760 mmHg 
Flash Point: 350.6 °C
Index of Refraction: 1.556
Molar Refractivity: 95.52 cm3
Molar Volume: 297.1 cm3
Polarizability: 37.87×10-24 cm3
Surface Tension: 39.1 dyne/cm 
Enthalpy of Vaporization: 79.32 kJ/mol
Vapour Pressure: 7.55E-10 mmHg at 25 °C 
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 322.190875
MonoIsotopic Mass: 322.190875
Topological Polar Surface Area: 40.1
Heavy Atom Count: 23
Complexity: 572
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)[O-])C)C.[Na+]
Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C.[Na+]
InChI: InChI=1S/C20H28O2.Na/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5;/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22);/q;+1/p-1/b9-6+,12-11+,15-8+,16-14+;
InChIKey of Sodium retinoate (CAS NO.13497-05-7) : MLZFHHXDDHGSIR-ABAXVIISSA-M

Retinoic acid sodium salt Toxicity Data With Reference

1.    

ivn-ham LDLo:34 mg/kg

    TJADAB    Teratology, A Journal of Abnormal Development. 5 (1972),103.

Retinoic acid sodium salt Safety Profile

Poison by intravenous route. An experimental teratogen. When heated to decomposition it emits toxic fumes of Na2O.

Retinoic acid sodium salt Specification

 Sodium retinoate (CAS NO.13497-05-7) is also called Retinoic acid, sodium salt ; Vitamin A acid sodium salt ; Retinoic acid, all-trans-, sodium salt .

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