Product Name

  • Name

    DI(3-METHYLHEXYL)PHTHALATE

  • EINECS
  • CAS No. 53306-53-9
  • Density 0.995g/cm3
  • Solubility
  • Melting Point
  • Formula C22H34O4
  • Boiling Point 363.6°Cat760mmHg
  • Molecular Weight 362.56
  • Flash Point 192.4°C
  • Transport Information
  • Appearance
  • Safety Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 53306-53-9 (DI(3-METHYLHEXYL)PHTHALATE)
  • Hazard Symbols
  • Synonyms
  • PSA 0.00000
  • LogP 0.00000

Di(3-methylhexyl)phthalate Chemical Properties

Molecule structure of Di(3-methylhexyl)phthalate (CAS NO.53306-53-9):

IUPAC Name: Bis(3-methylhexyl) benzene-1,2-dicarboxylate 
Molecular Weight: 362.50296 g/mol
Molecular Formula: C22H34O4 
Density: 0.995 g/cm3 
Boiling Point: 363.6 °C at 760 mmHg 
Flash Point: 192.4 °C
Index of Refraction: 1.49
Molar Refractivity: 105.31 cm3
Molar Volume: 364 cm3
Polarizability: 41.74×10-24 cm3
Surface Tension: 35.5 dyne/cm 
Enthalpy of Vaporization: 60.96 kJ/mol
Vapour Pressure: 1.79E-05 mmHg at 25 °C
XLogP3: 7.8
H-Bond Acceptor: 4
Rotatable Bond Count: 14
Exact Mass: 362.24571
MonoIsotopic Mass: 362.24571
Topological Polar Surface Area: 52.6
Heavy Atom Count: 26
Complexity: 369
Canonical SMILES: CCCC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC
InChI: InChI=1S/C22H34O4/c1-5-9-17(3)13-15-25-21(23)19-11-7-8-12-20(19)22(24)26-16-14-18(4)10-6-2/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3
InChIKey of Di(3-methylhexyl)phthalate (CAS NO.53306-53-9): PLVCZTJOXIYQSA-UHFFFAOYSA-N

Di(3-methylhexyl)phthalate Toxicity Data With Reference

1.    

orl-rat LD50:35,500 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.
2.    

orl-mus LD50:35,500 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.
3.    

orl-gpg LD50:35,500 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),25.

Di(3-methylhexyl)phthalate Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.

Di(3-methylhexyl)phthalate Specification

 Di(3-methylhexyl)phthalate (CAS NO.53306-53-9) is also named as Phthalic acid, bis(3-methylhexyl) ester .

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