Titanium dioxide

Names and Identifiers

Names and Synonyms
Database ID(s)

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Titanium dioxide [Wiki] [USP]

[TiO2]

Dioxotitanium [ACD/IUPAC Name]

Rutile (TiO2)

Titandioxid [Swedish]

titania [Wiki]

Titanium (IV) dioxide

Titanium (IV) oxide

Titanium oxide [JP15]

Titanium oxide (VAN)

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

14021_RIEDEL [DBID]

14027_RIEDEL [DBID]

204730_ALDRICH [DBID]

204757_ALDRICH [DBID]

224227_ALDRICH [DBID]

232033_ALDRICH [DBID]

248576_ALDRICH [DBID]

53450_FLUKA [DBID]

634662_ALDRICH [DBID]

635049_ALDRICH [DBID]

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Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Boiling Point:

4532-5432 F (2500-3000 °C) NIOSH
Experimental Vapor Pressure:

0 mmHg (Approximate) NIOSH

Experimental Solubility:

Insoluble NIOSH

Insoluble in water, HCl, HNO3, dilute H2SO4; soluble in hot, conc. H2SO4, HF, and alkalies Alfa Aesar

Miscellaneous

Appearance:

White, odorless powder. NIOSH

Safety:

CAUTION: Dust may irritate eyes Alfa Aesar

CAUTION: Dust may irritate eyes and respiratory tract Alfa Aesar

Not known to be hazardous in this form Alfa Aesar

First-Aid:

Breathing: Respiratory support NIOSH
Exposure Routes:

inhalation NIOSH
Symptoms:

Lung fibrosis; [potential occupational carcinogen] NIOSH
Target Organs:

respiratory system Cancer Site [in animals: lung tumors] NIOSH
Incompatibility:

None reported NIOSH

Personal Protection:

Skin: No recommendation Eyes: No recommendation Wash skin: No recommendation Remove: No recommendation Change: Daily NIOSH

Exposure Limits:

NIOSH REL : Ca See Appendix A OSHA PEL ?: TWA 15 mg/m 3 NIOSH

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	34.14 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  564.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  242.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -72 deg C
    BP  (exp database):  -10 deg C
    VP  (exp database):  3.00E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1634
       log Kow used: 2.23 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.07e+005 mg/L (21 deg C)
        Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4177e+005 mg/L
    Wat Sol (Exper. database match) =  107000.00
       Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.888E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7095
   Biowin2 (Non-Linear Model)     :   0.8670
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0227  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7325  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4745
   Biowin6 (MITI Non-Linear Model):   0.5548
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4E+005 Pa (3E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-010 
       Mackay model           :  6E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.35E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.016 (BCF = 10.38)
       log Kow used: 2.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.0489 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.9227  hours   (55.36 min)
    Half-Life from Model Lake :         85  hours   (3.542 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.39  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.67  percent
    Total to Air:               97.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.3            1e+005       1000       
   Water     42.3            360          1000       
   Soil      1.16            720          1000       
   Sediment  0.198           3.24e+003    0          
     Persistence Time: 145 hr

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