Product Name

  • Name

    Butanedioic acid,1-[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester, calcium salt (2:1)

  • EINECS
  • CAS No. 32266-82-3
  • Density
  • Solubility
  • Melting Point
  • Formula C16H29 N O5 . 1/2 Ca
  • Boiling Point
  • Molecular Weight 671.00
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal, subcutaneous, and ingsetion routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also CALCIUM COMPOUNDS and ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 32266-82-3 (Butanedioic acid,1-[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester, calcium salt (2:1))
  • Hazard Symbols
  • Synonyms Butanedioicacid, mono[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester, calcium salt(2:1) (9CI); Succinic acid, monoester withN-(2-ethylhexyl)-3-hydroxybutyramide, calcium salt (2:1) (8CI); Butoctamidehydrogen succinate calcium salt; Calcium N-(2-ethylhexyl)-3-hydroxybutyramidesemisuccinate; Calcium N-(2-ethylhexyl)-b-hydroxybutyramide semisuccinate; CalciumN-2-ethylhexyl-b-hydroxybutyramidehemisuccinate
  • PSA
  • LogP

Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate Chemical Properties

IUPAC Name: Calcium 4-[3-[(butanoylamino)methyl]heptan-4-yloxy]-4-oxobutanoate 
Following is the structure of Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3):
                
Empirical Formula: C32H56CaN2O10
Molecular Weight: 668.8724 g/mol
Enthalpy of Vaporization: 86.44 kJ/mol
Boiling Point: 517.6 °C at 760 mmHg
Vapour Pressure: 4.18E-12 mmHg at 25 °C
Flash Point of Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3): 266.8 °C
Canonical SMILES: CCCC(C(CC)CNC(=O)CCC)OC(=O)CCC(=O)[O-].CCCC(C(CC)CNC(=O)CCC)OC(=O)CCC(=O)[O-].[Ca+2]
InChI: InChI=1S/2C16H29NO5.Ca/c2*1-4-7-13(22-16(21)10-9-15(19)20)12(6-3)11-17-14(18)8-5-2;/h2*12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20);/q;;+2/p-2
InChIKey: ZHSAFPZWZXZOOS-UHFFFAOYSA-L

Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate Toxicity Data With Reference

1.    

orl-rat LD50:5746 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.
2.    

ipr-rat LD50:741 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.
3.    

scu-rat LD50:3037 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.
4.    

orl-mus LD50:2129 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.
5.    

ipr-mus LD50:549 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.
6.    

scu-mus LD50:1187 mg/kg

     TOIZAG    Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 17 (1970),579.

Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate Safety Profile

 Moderately is toxic by intraperitoneal, subcutaneous, and ingsetion routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition, Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate (CAS NO.32266-82-3) emits toxic fumes of NOx. See also CALCIUM COMPOUNDS and ESTERS.

Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate Specification

 Calcium N-2-ethylhexyl-beta-oxybutyramide semisuccinate , its cas register number is 32266-82-3. It also can be calledButoctamide hydrogen succinate calcium salt ; and Succinic acid, monoester with N-(2-ethylhexyl)-3-hydroxybutyramide, calcium salt (2:1) . Its classification code are Drug / Therapeutic Agent and Reproductive Effect.

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