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ChemSpider 2D Image | Formaldehyde | CH2O

Formaldehyde

  • Molecular FormulaCH2O
  • Average mass30.026 Da
  • Monoisotopic mass30.010565 Da
  • ChemSpider ID692

More details:



Featured data source



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

216-775-5 [EINECS]
50-00-0 [RN]
Aldehyd mravenci [Czech]
aldehyd mrówkowy [Polish]
aldehyde formique [French] [ISO]
aldeide formica [Italian]
formaldehyd [Polish] [ACD/IUPAC Name]
formaldehyd [Czech] [ACD/IUPAC Name]
Formaldehyd [German] [ACD/IUPAC Name]
More...

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

Caswell No. 465 [DBID]
HSDB 164 [DBID]
LP8925000 [DBID]
15512_RIEDEL [DBID]
15513_RIEDEL [DBID]
158127_SIAL [DBID]
16005_RIEDEL [DBID]
252549_SIAL [DBID]
33220_RIEDEL [DBID]
430315_ALDRICH [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid, typically 37% formaldehyde in water OU Chemical Safety Data (No longer updated)
      Nearly colorless gas with a pungent, suffocating odor. [Note: Often used in an aqueous solution (see specific listing for Formalin).] NIOSH LP8925000
    • Stability:

      Stable. Strong reducing agent, especially in alkaline solution.Substances to be avoided include strong bases,strong acids, strong oxidising agents, aniline, phenol,isocyanates, anhydrides. Combustible . Light and air sensitive. Polymerizesspontaneously. OU Chemical Safety Data (No longer updated)
    • Toxicity:

      Organic Compound; Industrial Precursor/Intermediate; Aldehyde; Disinfectant; Pollutant; Food Toxin; Metabolite; Cosmetic Toxin; Lachrymator; Cigarette Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Compound; Fixative Toxin, Toxin-Target Database T3D0244
    • Safety:

      23/24/25-34-37-39/23/24/25-40-43 Alfa Aesar 33314, A16163
      3 Alfa Aesar 33314, A16163
      4-7/9-16-20-23-26-27-36/37/39-45-51-60 Alfa Aesar A16163
      7/9-16-23-26-27-36/37/39-45-51-60 Alfa Aesar 33314
      Danger Alfa Aesar 33314, A16163
      DANGER: Causes GI injury; skin, eye & respiratory irritation Alfa Aesar 33314, A16163
      DANGER: CAUSES LUNG SENSITIZATION; POTENTIAL CANCER HAZARD. Alfa Aesar A16163
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 23277
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar 33314
      H301-H311-H331-H314-H226-H351-H371-H317 Alfa Aesar A16163
      H301-H311-H331-H370-H351-H314-H226-H317 Alfa Aesar 33314
      P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar 33314, A16163
      Safety glasses. Nitrile or butyl rubber gloves. Good ventilation. 50 g kg-1, SKN-RAT LD50 3000 mg kg-1 OU Chemical Safety Data (No longer updated)
      Xn Abblis Chemicals AB1002009
    • First-Aid:

      Eye: Irrigate immediately Breathing: Respiratory support NIOSH LP8925000
    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH LP8925000
    • Symptoms:

      Irritation eyes, nose, throat, respiratory system; lacrimation (discharge of tears); cough; wheezing; [potential occupational carcinogen] NIOSH LP8925000
    • Target Organs:

      Eyes, respiratory system Cancer Site [nasal cancer] NIOSH LP8925000
    • Incompatibility:

      Strong oxidizers, alkalis & acids; phenols; urea [Note: Pure formaldehyde has a tendency to polymerize. Reacts with HCl to form bis-Chloromethyl ether.] NIOSH LP8925000
    • Personal Protection:

      Skin: No recommendation Eyes: Prevent eye contact Wash skin: No recommendation Remove: No recommendation Change: No recommendation NIOSH LP8925000
    • Exposure Limits:

      NIOSH REL : Ca TWA 0.016 ppm C 0.1 ppm [15-minute] See Appendix A OSHA PEL : [1910.1048] TWA 0.75 ppm ST 2 ppm NIOSH LP8925000
    • Chemical Class:

      An aldehyde resulting from the formal oxidation of methanol. ChEBI CHEBI:16842, CHEBI:29327
      An organic radical derived from formaldehyde. ChEBI CHEBI:16842, CHEBI:29327
  • Gas Chromatography
    • Retention Index (Kovats):

      229 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 12 ft; Column type: Packed; Start T: 150 C; CAS no: 50000; Active phase: SE-30; Substrate: Celatom AW silanized; Data type: Kovats RI; Authors: Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 179, 1979, 75-85.) NIST Spectra nist ri
      284 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 200 C; CAS no: 50000; Active phase: Porapack Q; Carrier gas: N2; Data type: Kovats RI; Authors: Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 235, 1982, 119-127.) NIST Spectra nist ri
      249 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 50000; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      273 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 50000; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      247 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 50000; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.7±0.1 g/cm3
Boiling Point: -19.5±9.0 °C at 760 mmHg
Vapour Pressure: 3463.8±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.3±3.0 kJ/mol
Flash Point: -75.1±13.7 °C
Index of Refraction: 1.235
Molar Refractivity: 6.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.29
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.29
Polar Surface Area: 17 Å2
Polarizability: 2.6±0.5 10-24cm3
Surface Tension: 12.6±3.0 dyne/cm
Molar Volume: 43.8±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.35
    Log Kow (Exper. database match) =  0.35
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  9.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -110.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.49E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -92 deg C
    BP  (exp database):  -19.1 deg C
    VP  (exp database):  3.89E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.702e+004
       log Kow used: 0.35 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4e+005 mg/L (20 deg C)
        Exper. Ref:  PICKRELL,JA ET AL. (1983)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9694e+005 mg/L
    Wat Sol (Exper. database match) =  400000.00
       Exper. Ref:  PICKRELL,JA ET AL. (1983)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.29E-005  atm-m3/mole
   Group Method:   6.14E-005  atm-m3/mole
   Exper Database: 3.37E-07  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.267E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.35  (exp database)
  Log Kaw used:  -4.861  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.211
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0179
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1551  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0011  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0342
   Biowin6 (MITI Non-Linear Model):   0.9879
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9587
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.19E+005 Pa (3.89E+003 mm Hg)
  Log Koa (Koawin est  ): 5.211
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.78E-012 
       Octanol/air (Koa) model:  3.99E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.09E-010 
       Mackay model           :  4.63E-010 
       Octanol/air (Koa) model:  3.19E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.1300 E-12 cm3/molecule-sec
      Half-Life =     1.316 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.787 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.36E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.35 (expkow database)

 Volatilization from Water:
    Henry LC:  3.37E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      952.6  hours   (39.69 days)
    Half-Life from Model Lake : 1.044E+004  hours   (434.9 days)

 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.13            27.4         1000       
   Water     44.2            360          1000       
   Soil      53.5            720          1000       
   Sediment  0.0826          3.24e+003    0          
     Persistence Time: 390 hr




                    

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