ChemSpider 2D Image | Tris(2-methylphenyl) phosphate | C21H21O4P

Tris(2-methylphenyl) phosphate

  • Molecular FormulaC21H21O4P
  • Average mass368.363 Da
  • Monoisotopic mass368.117737 Da
  • ChemSpider ID21106216

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Tris(2-methylphenyl) phosphate [ACD/IUPAC Name] [Wiki]
201-103-5 [EINECS]
78-30-8 [RN]
o-Cresyl phosphate
Phosphate de tris(2-méthylphényle) [French] [ACD/IUPAC Name]
Phosphoric acid tris(2-methylphenyl) ester
Phosphoric acid, tris(2-methylphenyl) ester [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1892885 [DBID]
NSC 438 [DBID]
AI3-00520 [DBID]
BRN 1892885 [DBID]
HSDB 4084 [DBID]
ZINC01555526 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless to pale-yellow, odorless liquid or solid (below 52F). NIOSH TD0350000
    • Safety:

      21/22-51/53 Alfa Aesar A17433
      36/37-57 Alfa Aesar A17433
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar A17433
      WARNING: Causes GI injury, skin and eye irritation Alfa Aesar A17433
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH TD0350000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH TD0350000
    • Symptoms:

      Gastrointestinal disturbance; peripheral neuropathy; cramps in calves, paresthesia in feet or hands; weak feet, wrist drop, paralysis NIOSH TD0350000
    • Target Organs:

      peripheral nervous system, central nervous system NIOSH TD0350000
    • Incompatibility:

      Oxidizers NIOSH TD0350000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: No recommendation Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation NIOSH TD0350000
    • Exposure Limits:

      NIOSH REL : TWA 0.1 mg/m 3 [skin] OSHA PEL ?: TWA 0.1 mg/m 3 NIOSH TD0350000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      2545.2 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.247 mm; Column length: 15 m; Column type: Capillary; Description: 1 min at 90 C; 90-150 C at 20 deg/min; 150-250 C at 5 deg/min; hold at 250 C for elution of last component; CAS no: 78308; Active phase: SE-30; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ripley, B.D.; Braun, H.E., Retention time data for organochlorine, organophosphorus, and organonitrogen pesticides on SE-30 capillary column and application of capillary gas chromatography to pesticide residue analysis, J. Ass. Offic. Anal. Chem, 66(5), 1983, 1084-1095.) NIST Spectra nist ri
      2565.7 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 1.8 m; Column type: Packed; Heat rate: 8 K/min; Start T: 150 C; End T: 230 C; End time: 10 min; Start time: 2 min; CAS no: 78308; Active phase: OV-101; Carrier gas: He; Substrate: Chromosorb 750; Data type: Normal alkane RI; Authors: LeBel, G.L.; Williams, D.T.; Benoit, F.M., Gas chromatographic determination of trialkyl/aryl phosphates in drinking water, following isolation using macroreticular resin, J. Ass. Offic. Anal. Chem, 64(4), 1981, 991-998.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 410.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 215.5±40.4 °C
Index of Refraction: 1.581
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3717.01
ACD/KOC (pH 5.5): 12506.59
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3717.01
ACD/KOC (pH 7.4): 12506.59
Polar Surface Area: 55 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

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