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ChemSpider 2D Image | Ethylamine | C2H7N

Ethylamine

  • Molecular FormulaC2H7N
  • Average mass45.084 Da
  • Monoisotopic mass45.057850 Da
  • ChemSpider ID6101

More details:



Featured data source



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

200-834-7 [EINECS]
75-04-7 [RN]
Aethylamine [German]
aminoethane [Wiki]
Ethanamin [German] [ACD/IUPAC Name]
Ethanamine [ACD/Index Name] [ACD/IUPAC Name]
Éthanamine [French] [ACD/IUPAC Name]
Ethyl amine
Ethylamine [Wiki]
More...

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

4236 [DBID]
KH2100000 [DBID]
YG6MGA6AT5 [DBID]
02946_FLUKA [DBID]
301264_ALDRICH [DBID]
395064_ALDRICH [DBID]
395072_ALDRICH [DBID]
471208_ALDRICH [DBID]
668583_ALDRICH [DBID]
AI3-24228 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas or water-white liquid (below 62F) with an ammonia-like odor. [Note: Shipped as a liquefied compressed gas.] NIOSH KH2100000
      Colourless to yellow gas; Ammonia fishy aroma Food and Agriculture Organization of the United Nations Ethylamine
      light yellow liquid OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable. Incompatible with oxidizing agents, alkali metals, alkaline earth metals,acids, many reactive organic and inorganic compounds. Reacts with or disssolvesmost types of paint, p lastic and rubber. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Food Toxin; Metabolite; Uremic Toxin; Natural Compound Toxin, Toxin-Target Database T3D4185
      SKN-RBT LD50 390 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      11-36/37 Alfa Aesar A15022
      12-19-36/37 Alfa Aesar H32306
      15-16-26-33 Alfa Aesar A15022
      16-26 Alfa Aesar H32306
      3 Alfa Aesar A15022, H32306
      Danger Alfa Aesar A15022, H32306
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A15022
      H224-H311-H302-H319-H335-EUH019 Alfa Aesar H32306
      H225-H319-H335 Alfa Aesar A15022
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A15022
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar H32306
      R12,R36/37 SynQuest 3130-1-10
      S16,S26,S29 SynQuest 3130-1-10
      Safety glasses, good ventilation, butyl rubber gloves. OU Chemical Safety Data (No longer updated) More details
      See SIAL SDS SynQuest 3130-1-10SM
    • First-Aid:

      Eye: Irrigate immediately (liquid) Skin: Water flush immediately (liquid) Breathing: Respiratory support Swallow: Medical attention immediately (liquid) NIOSH KH2100000
    • Exposure Routes:

      inhalation, skin absorption (liquid), ingestion (liquid), skin and/or eye contact (liquid) NIOSH KH2100000
    • Symptoms:

      Irritation eyes, skin, respiratory system; skin burns, dermatitis NIOSH KH2100000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH KH2100000
    • Incompatibility:

      Strong acids; strong oxidizers; copper, tin & zinc in presence of moisture; cellulose nitrate; chlorine; hypochlorites NIOSH KH2100000
    • Personal Protection:

      Skin: Prevent skin contact (liquid) Eyes: Prevent eye contact (liquid) Wash skin: When contaminated (liquid) Remove: When wet or contaminated (liquid) Change: No recommendation Provide: Eyewash (liqui d), Quick drench (liquid) NIOSH KH2100000
    • Exposure Limits:

      NIOSH REL : TWA 10 ppm (18 mg/m 3 ) OSHA PEL : TWA 10 ppm (18 mg/m 3 ) NIOSH KH2100000
    • Chemical Class:

      A two-carbon primary aliphatic amine. ChEBI CHEBI:15862, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15862
  • Gas Chromatography
    • Retention Index (Kovats):

      463 (estimated with error: 83) NIST Spectra mainlib_71, replib_228576
      370 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      379 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 150 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      390 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 130 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      458 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 100 C; CAS no: 75047; Active phase: Apiezon L; Data type: Kovats RI; Authors: Golovnya, R.V.; Zhuravleva, I.L., Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate, Chromatographia, 6(12), 1973, 508-513.) NIST Spectra nist ri
      441 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.26 m; Column type: Packed; Start T: 130 C; CAS no: 75047; Active phase: Apiezon L; Substrate: Teflon-Haloport; Data type: Kovats RI; Authors: Landault, C.; Guiochon, G., Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support, J. Chromatogr., 13, 1964, 327-336.) NIST Spectra nist ri
      712 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 179 C; CAS no: 75047; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      717 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 152 C; CAS no: 75047; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      458 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 24(10), 2007, 1404-1408.) NIST Spectra nist ri
      408 (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: 75047; 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
      410 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) NIST Spectra nist ri
    • Retention Index (Linear):

      413 (Program type: Complex; Column... (show more) class: Standard non-polar; Column length: 3.05 m; Column type: Packed; Description: 40C(5min)=>10C/min =>200C or 250C (60min); CAS no: 75047; Active phase: SE-30; Substrate: Supelcoport; Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Methyl Silicone; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) 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: 14.2±3.0 °C at 760 mmHg
Vapour Pressure: 1132.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.2±3.0 kJ/mol
Flash Point: -17.2±0.0 °C
Index of Refraction: 1.373
Molar Refractivity: 14.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 21.7±3.0 dyne/cm
Molar Volume: 65.2±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) =  -0.15
    Log Kow (Exper. database match) =  -0.13
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  36.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -84.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.04E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80.5 deg C
    BP  (exp database):  16.5 deg C
    VP  (exp database):  1.05E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -0.13 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  MERCK INDEX (1996)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.01E-005  atm-m3/mole
   Group Method:   8.68E-006  atm-m3/mole
   Exper Database: 1.23E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.508E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.13  (exp database)
  Log Kaw used:  -3.299  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.169
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8799
   Biowin2 (Non-Linear Model)     :   0.9701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1240  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8260  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6611
   Biowin6 (MITI Non-Linear Model):   0.8004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9598
 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):  1.4E+005 Pa (1.05E+003 mm Hg)
  Log Koa (Koawin est  ): 3.169
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-011 
       Octanol/air (Koa) model:  3.62E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-010 
       Mackay model           :  1.71E-009 
       Octanol/air (Koa) model:  2.9E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.8535 E-12 cm3/molecule-sec
      Half-Life =     0.358 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.299 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.24E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  17.84
      Log Koc:  1.251 

 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: -0.13 (expkow database)

 Volatilization from Water:
    Henry LC:  1.23E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      32.64  hours   (1.36 days)
    Half-Life from Model Lake :      412.4  hours   (17.18 days)

 Removal In Wastewater Treatment:
    Total removal:               2.52  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.68  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.49            9.26         1000       
   Water     48.2            360          1000       
   Soil      50.2            720          1000       
   Sediment  0.0888          3.24e+003    0          
     Persistence Time: 317 hr




                    

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